Mark Asta - Publications

Affiliations: 
Materials Science and Engineering University of California, Berkeley, Berkeley, CA 
Website:
http://www.mse.berkeley.edu/ourfaculty/astam

192 high-probability publications. We are testing a new system for linking publications to authors. You can help! If you notice any inaccuracies, please sign in and mark papers as correct or incorrect matches. If you identify any major omissions or other inaccuracies in the publication list, please let us know.

Year Citation  Score
2019 Pekin TC, Ding J, Gammer C, Ozdol B, Ophus C, Asta M, Ritchie RO, Minor AM. Direct measurement of nanostructural change during in situ deformation of a bulk metallic glass. Nature Communications. 10: 2445. PMID 31164643 DOI: 10.1038/s41467-019-10416-5  0.36
2019 Cui J, Olmsted DL, Mehta AK, Asta M, Hayes S. NMR Crystallography: Evaluation of Hydrogen Positions in Hydromagnesite by ¹³C{¹H} REDOR Solid-State NMR and Density Functional Theory Calculation of Chemical Shielding Tensors. Angewandte Chemie (International Ed. in English). PMID 30672073 DOI: 10.1002/anie.201813306  0.72
2018 Hauwiller MR, Zhang X, Liang WI, Chiu CH, Zhang Q, Zheng W, Ophus C, Chan EM, Czarnik C, Pan M, Ross FM, Wu WW, Chu YH, Asta M, Voorhees PW, et al. Dynamics of Nanoscale Dendrite Formation in Solution Growth Revealed Through In Situ Liquid Cell Electron Microscopy. Nano Letters. PMID 30256644 DOI: 10.1021/acs.nanolett.8b02819  0.48
2018 Ding J, Yu Q, Asta M, Ritchie RO. Tunable stacking fault energies by tailoring local chemical order in CrCoNi medium-entropy alloys. Proceedings of the National Academy of Sciences of the United States of America. PMID 30127034 DOI: 10.1073/pnas.1808660115  0.36
2018 Tan H, Che F, Wei M, Zhao Y, Saidaminov MI, Todorović P, Broberg D, Walters G, Tan F, Zhuang T, Sun B, Liang Z, Yuan H, Fron E, Kim J, ... ... Asta M, et al. Dipolar cations confer defect tolerance in wide-bandgap metal halide perovskites. Nature Communications. 9: 3100. PMID 30082722 DOI: 10.1038/s41467-018-05531-8  0.44
2018 Walukiewicz W, Rey-Stolle I, Han G, Jaquez M, Broberg D, Xie W, Sherburne M, Mathews N, Asta M. Bistable Amphoteric Native Defect Model of Perovskite Photovoltaics. The Journal of Physical Chemistry Letters. PMID 29938512 DOI: 10.1021/acs.jpclett.8b01446  0.4
2017 Freitas R, Frolov T, Asta M. Capillary fluctuations of surface steps: An atomistic simulation study for the model Cu(111) system. Physical Review. E. 96: 043308. PMID 29347604 DOI: 10.1103/PhysRevE.96.043308  0.48
2017 Ding J, Asta M, Ritchie RO. On the question of fractal packing structure in metallic glasses. Proceedings of the National Academy of Sciences of the United States of America. PMID 28743756 DOI: 10.1073/pnas.1705723114  0.36
2017 Asmara TC, Wan D, Zhao Y, Majidi MA, Nelson CT, Scott MC, Cai Y, Yan B, Schmidt D, Yang M, Zhu T, Trevisanutto PE, Motapothula MR, Feng YP, Breese MBH, ... ... Asta M, et al. Tunable and low-loss correlated plasmons in Mott-like insulating oxides. Nature Communications. 8: 15271. PMID 28497786 DOI: 10.1038/ncomms15271  0.36
2017 Solomon JM, Shamblin J, Lang M, Navrotsky A, Asta M. Corrigendum: Chemical ordering in substituted fluorite oxides: a computational investigation of Ho2Zr2O7 and RE2Th2O7 (RE = Ho, Y, Gd, Nd, La). Scientific Reports. 7: 42380. PMID 28198809 DOI: 10.1038/srep42380  0.32
2016 Ding J, Cheng YQ, Sheng H, Asta M, Ritchie RO, Ma E. Universal structural parameter to quantitatively predict metallic glass properties. Nature Communications. 7: 13733. PMID 27941922 DOI: 10.1038/ncomms13733  0.36
2016 Solomon JM, Shamblin J, Lang M, Navrotsky A, Asta M. Chemical ordering in substituted fluorite oxides: a computational investigation of Ho2Zr2O7 and RE2Th2O7 (RE=Ho, Y, Gd, Nd, La). Scientific Reports. 6: 38772. PMID 27941870 DOI: 10.1038/srep38772  0.32
2016 de Jong M, Chen W, Notestine R, Persson K, Ceder G, Jain A, Asta M, Gamst A. A Statistical Learning Framework for Materials Science: Application to Elastic Moduli of k-nary Inorganic Polycrystalline Compounds. Scientific Reports. 6: 34256. PMID 27694824 DOI: 10.1038/srep34256  1
2016 Wang Z, Olmsted DL, Asta M, Laird BB. Electric potential calculation in molecular simulation of electric double layer capacitors. Journal of Physics. Condensed Matter : An Institute of Physics Journal. 28: 464006. PMID 27624573 DOI: 10.1088/0953-8984/28/46/464006  1
2016 Xing G, Kumar MH, Chong WK, Liu X, Cai Y, Ding H, Asta M, Grätzel M, Mhaisalkar S, Mathews N, Sum TC. Solution-Processed Tin-Based Perovskite for Near-Infrared Lasing. Advanced Materials (Deerfield Beach, Fla.). PMID 27417520 DOI: 10.1002/adma.201601418  1
2016 Guo X, Tiferet E, Qi L, Solomon JM, Lanzirotti A, Newville M, Engelhard MH, Kukkadapu RK, Wu D, Ilton ES, Asta M, Sutton SR, Xu H, Navrotsky A. U(v) in metal uranates: a combined experimental and theoretical study of MgUO4, CrUO4, and FeUO4. Dalton Transactions (Cambridge, England : 2003). PMID 26854913 DOI: 10.1039/c6dt00066e  1
2016 Aydemir U, Pöhls JH, Zhu H, Hautier G, Bajaj S, Gibbs ZM, Chen W, Li G, Ohno S, Broberg D, Kang SD, Asta M, Ceder G, White MA, Persson K, et al. YCuTe2: A member of a new class of thermoelectric materials with CuTe4-based layered structure Journal of Materials Chemistry A. 4: 2461-2472. DOI: 10.1039/c5ta10330d  0.44
2016 Huang Z, Abad MD, Ramsey JK, de Figueiredo MR, Kaoumi D, Li N, Asta M, Gronbech-Jensen N, Hosemann P. A high temperature mechanical study on PH 13-8 Mo maraging steel Materials Science and Engineering A. 651: 574-582. DOI: 10.1016/j.msea.2015.10.077  0.44
2016 Freitas R, Asta M, De Koning M. Nonequilibrium free-energy calculation of solids using LAMMPS Computational Materials Science. 112: 333-341. DOI: 10.1016/j.commatsci.2015.10.050  1
2015 Ding J, Ma E, Asta M, Ritchie RO. Second-Nearest-Neighbor Correlations from Connection of Atomic Packing Motifs in Metallic Glasses and Liquids. Scientific Reports. 5: 17429. PMID 26616762 DOI: 10.1038/srep17429  1
2015 Song G, Sun Z, Li L, Xu X, Rawlings M, Liebscher CH, Clausen B, Poplawsky J, Leonard DN, Huang S, Teng Z, Liu CT, Asta MD, Gao Y, Dunand DC, et al. Ferritic Alloys with Extreme Creep Resistance via Coherent Hierarchical Precipitates. Scientific Reports. 5: 16327. PMID 26548303 DOI: 10.1038/srep16327  0.48
2015 de Jong M, Chen W, Geerlings H, Asta M, Persson KA. A database to enable discovery and design of piezoelectric materials. Scientific Data. 2: 150053. PMID 26451252 DOI: 10.1038/sdata.2015.53  0.48
2015 Niu K, Frolov T, Xin HL, Wang J, Asta M, Zheng H. Bubble nucleation and migration in a lead-iron hydr(oxide) core-shell nanoparticle. Proceedings of the National Academy of Sciences of the United States of America. PMID 26438864 DOI: 10.1073/pnas.1510342112  0.48
2015 de Jong M, Kacher J, Sluiter MH, Qi L, Olmsted DL, van de Walle A, Morris JW, Minor AM, Asta M. Electronic Origins of Anomalous Twin Boundary Energies in Hexagonal Close Packed Transition Metals. Physical Review Letters. 115: 065501. PMID 26296121 DOI: 10.1103/PhysRevLett.115.065501  1
2015 Wolff-Goodrich S, Lin F, Markus IM, Nordlund D, Xin HL, Asta M, Doeff MM. Tailoring the surface properties of LiNi0.4Mn0.4Co0.2O2 by titanium substitution for improved high voltage cycling performance. Physical Chemistry Chemical Physics : Pccp. 17: 21778-81. PMID 26247817 DOI: 10.1039/c5cp03228h  1
2015 de Jong M, Chen W, Angsten T, Jain A, Notestine R, Gamst A, Sluiter M, Krishna Ande C, van der Zwaag S, Plata JJ, Toher C, Curtarolo S, Ceder G, Persson KA, Asta M. Charting the complete elastic properties of inorganic crystalline compounds. Scientific Data. 2: 150009. PMID 25984348 DOI: 10.1038/sdata.2015.9  0.96
2015 Yu Q, Qi L, Tsuru T, Traylor R, Rugg D, Morris JW, Asta M, Chrzan DC, Minor AM. Metallurgy. Origin of dramatic oxygen solute strengthening effect in titanium. Science (New York, N.Y.). 347: 635-9. PMID 25657243 DOI: 10.1126/science.1260485  1
2015 Frolov T, Asta M, Mishin Y. Segregation-induced phase transformations in grain boundaries Physical Review B - Condensed Matter and Materials Physics. 92. DOI: 10.1103/PhysRevB.92.020103  1
2015 Wolff-Goodrich S, Hanken BE, Solomon JM, Asta M. Special quasirandom structure modeling of fluorite-structured oxide solid solutions with aliovalent cation substitutions Modelling and Simulation in Materials Science and Engineering. 23. DOI: 10.1088/0965-0393/23/5/055001  1
2015 Zhu H, Hautier G, Aydemir U, Gibbs ZM, Li G, Bajaj S, Pöhls JH, Broberg D, Chen W, Jain A, White MA, Asta M, Snyder GJ, Persson K, Ceder G. Computational and experimental investigation of TmAgTe2 and XYZ2 compounds, a new group of thermoelectric materials identified by first-principles high-throughput screening Journal of Materials Chemistry C. 3: 10554-10565. DOI: 10.1039/c5tc01440a  0.44
2015 Krishnamoorthy T, Ding H, Yan C, Leong WL, Baikie T, Zhang Z, Sherburne M, Li S, Asta M, Mathews N, Mhaisalkar SG. Lead-free germanium iodide perovskite materials for photovoltaic applications Journal of Materials Chemistry A. 3: 23829-23832. DOI: 10.1039/c5ta05741h  0.48
2015 Ni C, Ding H, Asta M, Jin X. Computational study of <11-00> symmetric tilt grain boundaries in Mg and Ti Scripta Materialia. DOI: 10.1016/j.scriptamat.2015.07.028  1
2015 Palanisamy P, Jong Md, Asta M, Howe JM. Examination of the electronic structure of crystalline and liquid Al versus temperature by in situ electron energy-loss spectroscopy (EELS) Micron. 76: 14-18. DOI: 10.1016/j.micron.2015.05.006  1
2015 Beeler B, Asta M, Hosemann P, Grønbech-Jensen N. Effects of applied strain on radiation damage generation in body-centered cubic iron Journal of Nuclear Materials. 459: 159-165. DOI: 10.1016/j.jnucmat.2014.12.111  1
2015 Solomon JM, Navrotsky A, Asta M. Energetics and defect clustering trends for trivalent rare earth cations substituted in UO2 Journal of Nuclear Materials. 457: 252-255. DOI: 10.1016/j.jnucmat.2014.11.089  1
2015 Ding H, Medasani B, Chen W, Persson KA, Haranczyk M, Asta M. PyDII: A python framework for computing equilibrium intrinsic point defect concentrations and extrinsic solute site preferences in intermetallic compounds Computer Physics Communications. 193: 118-123. DOI: 10.1016/j.cpc.2015.03.015  1
2015 Medasani B, Haranczyk M, Canning A, Asta M. Vacancy formation energies in metals: A comparison of MetaGGA with LDA and GGA exchange-correlation functionals Computational Materials Science. 101: 96-107. DOI: 10.1016/j.commatsci.2015.01.018  1
2015 Zhang L, Solomon JM, Asta M, Navrotsky A. A combined calorimetric and computational study of the energetics of rare earth substituted UO2 systems Acta Materialia. 97: 191-198. DOI: 10.1016/j.actamat.2015.06.048  1
2015 Liebscher CH, Radmilovi? VR, Dahmen U, Vo NQ, Dunand DC, Asta M, Ghosh G. A hierarchical microstructure due to chemical ordering in the bcc lattice: Early stages of formation in a ferritic Fe-Al-Cr-Ni-Ti alloy Acta Materialia. 92: 220-232. DOI: 10.1016/j.actamat.2015.03.043  1
2014 Markus IM, Lin F, Kam KC, Asta M, Doeff MM. Computational and Experimental Investigation of Ti Substitution in Li1(NixMnxCo1-2x-yTiy)O2 for Lithium Ion Batteries. The Journal of Physical Chemistry Letters. 5: 3649-55. PMID 26278733 DOI: 10.1021/jz5017526  0.48
2014 Wang Z, Yang Y, Olmsted DL, Asta M, Laird BB. Evaluation of the constant potential method in simulating electric double-layer capacitors. The Journal of Chemical Physics. 141: 184102. PMID 25399127 DOI: 10.1063/1.4899176  1
2014 Kumar MH, Dharani S, Leong WL, Boix PP, Prabhakar RR, Baikie T, Shi C, Ding H, Ramesh R, Asta M, Graetzel M, Mhaisalkar SG, Mathews N. Lead-free halide perovskite solar cells with high photocurrents realized through vacancy modulation. Advanced Materials (Deerfield Beach, Fla.). 26: 7122-7. PMID 25212785 DOI: 10.1002/adma.201401991  1
2014 Frolov T, Carter WC, Asta M. Capillary instability in nanowire geometries. Nano Letters. 14: 3577-81. PMID 24842073 DOI: 10.1021/nl501214p  0.48
2014 Lin F, Markus IM, Nordlund D, Weng TC, Asta MD, Xin HL, Doeff MM. Surface reconstruction and chemical evolution of stoichiometric layered cathode materials for lithium-ion batteries Nature Communications. 5: 3529. PMID 24670975 DOI: 10.1038/ncomms4529  1
2014 Warrier GR, Ju YS, Schroers J, Asta M, Hosemann P. Development of high temperature liquid metal heat transfer fluids for CSP applications Asme 2014 8th International Conference On Energy Sustainability, Es 2014 Collocated With the Asme 2014 12th International Conference On Fuel Cell Science, Engineering and Technology. 1. DOI: 10.1115/ES2014-6611  1
2014 Toher C, Plata JJ, Levy O, De Jong M, Asta M, Nardelli MB, Curtarolo S. High-throughput computational screening of thermal conductivity, Debye temperature, and Grüneisen parameter using a quasiharmonic Debye model Physical Review B - Condensed Matter and Materials Physics. 90. DOI: 10.1103/PhysRevB.90.174107  1
2014 Adelstein N, Neaton JB, Asta M, De Jonghe LC. Density functional theory based calculation of small-polaron mobility in hematite Physical Review B - Condensed Matter and Materials Physics. 89. DOI: 10.1103/PhysRevB.89.245115  1
2014 Saidi P, Frolov T, Hoyt JJ, Asta M. An angular embedded atom method interatomic potential for the aluminum-silicon system Modelling and Simulation in Materials Science and Engineering. 22. DOI: 10.1088/0965-0393/22/5/055010  1
2014 Kramer MJ, Mendelev MI, Asta M. Structure of liquid Al and Al67Mg33 alloy: Comparison between experiment and simulation Philosophical Magazine. 94: 1876-1892. DOI: 10.1080/14786435.2014.886786  1
2014 Solomon JM, Adelstein N, De Jonghe LC, Asta M. First principles study of pyrophosphate defects and dopant-defect interactions in stronium-doped lanthanum orthophosphate Journal of Materials Chemistry A. 2: 1047-1053. DOI: 10.1039/c3ta13349d  1
2014 Frolov T, Carter WC, Asta M. Capillary instability in nanowire geometries Nano Letters. 14: 3577-3581. DOI: 10.1021/nl501214p  1
2014 Markus IM, Lin F, Kam KC, Asta M, Doeff MM. Computational and experimental investigation of Ti substitution in Li1(NixMnxCo1-2x-yTiy)O2 for lithium ion batteries Journal of Physical Chemistry Letters. 5: 3649-3655. DOI: 10.1021/jz5017526  1
2014 Ding H, Lin H, Sadigh B, Zhou F, Ozoliņš V, Asta M. Computational investigation of electron small polarons in α-MoO 3 Journal of Physical Chemistry C. 118: 15565-15572. DOI: 10.1021/jp503065x  1
2014 Aguirre JC, Ferreira A, Ding H, Jenekhe SA, Kopidakis N, Asta M, Pilon L, Rubin Y, Tolbert SH, Schwartz BJ, Dunn B, Ozolins V. Panoramic view of electrochemical pseudocapacitor and organic solar cell research in molecularly engineered energy materials (MEEM) Journal of Physical Chemistry C. 118: 19505-19523. DOI: 10.1021/jp501047j  1
2014 Markus IM, Adelstein N, Asta M, De Jonghe LC. Ab initio calculation of proton transport in DyPO4 Journal of Physical Chemistry C. 118: 5073-5080. DOI: 10.1021/jp409962x  1
2014 Ray KG, Olmsted DL, Burton JMR, Houndonougbo Y, Laird BB, Asta M. Gas membrane selectivity enabled by zeolitic imidazolate framework electrostatics Chemistry of Materials. 26: 3976-3985. DOI: 10.1021/cm5015477  1
2014 Alemayehu MB, Mitchson G, Ditto J, Hanken BE, Asta M, Johnson DC. Charge transfer between PbSe and NbSe2 in [(PbSe) 1.14]m(NbSe2)1 ferecrystalline compounds Chemistry of Materials. 26: 1859-1866. DOI: 10.1021/cm404018a  1
2014 Guo X, Tavakoli AH, Sutton S, Kukkadapu RK, Qi L, Lanzirotti A, Newville M, Asta M, Navrotsky A. Cerium substitution in yttrium iron garnet: Valence state, structure, and energetics Chemistry of Materials. 26: 1133-1143. DOI: 10.1021/cm403444f  1
2014 Alexandrov V, Grønbech-Jensen N, Navrotsky A, Asta M. Theoretical study of mixing energetics in homovalent fluorite-structured oxide solid solutions Journal of Nuclear Materials. 444: 292-297. DOI: 10.1016/j.jnucmat.2013.10.001  1
2014 Asta M, Turchi PEA. Summary report of CALPHAD XLI - Berkeley, California, USA, 2012 Calphad: Computer Coupling of Phase Diagrams and Thermochemistry. 45: 204-250. DOI: 10.1016/j.calphad.2013.06.003  1
2014 Solomon JM, Alexandrov V, Sadigh B, Navrotsky A, Asta M. Computational study of the energetics and defect clustering tendencies for Y- and La-doped UO2 Acta Materialia. 78: 282-289. DOI: 10.1016/j.actamat.2014.06.052  1
2014 Woodward C, Van De Walle A, Asta M, Trinkle DR. First-principles study of interfacial boundaries in Ni-Ni3Al Acta Materialia. 75: 60-70. DOI: 10.1016/j.actamat.2014.04.056  1
2014 Vo NQ, Liebscher CH, Rawlings MJS, Asta M, Dunand DC. Creep properties and microstructure of a precipitation-strengthened ferritic Fe-Al-Ni-Cr alloy Acta Materialia. 71: 89-99. DOI: 10.1016/j.actamat.2014.02.020  1
2014 Ding H, Razumovskiy VI, Asta M. Self diffusion anomaly in ferromagnetic metals: A density-functional-theory investigation of magnetically ordered and disordered Fe and Co Acta Materialia. 70: 130-136. DOI: 10.1016/j.actamat.2014.01.025  1
2014 Asta M. Computational materials discovery and design Jom. 66: 364-365. DOI: 10.1007/s11837-014-0887-1  1
2013 Hanken BE, Asta M, Casey WH. Computational characterization of the internal bonding and solvation structure for [Nb10O28]aq6-. Physical Chemistry Chemical Physics : Pccp. 15: 20929-36. PMID 24201903 DOI: 10.1039/c3cp53574f  0.32
2013 Frolov T, Divinski SV, Asta M, Mishin Y. Effect of interface phase transformations on diffusion and segregation in high-angle grain boundaries. Physical Review Letters. 110: 255502. PMID 23829744 DOI: 10.1103/PhysRevLett.110.255502  0.48
2013 Frolov T, Olmsted DL, Asta M, Mishin Y. Structural phase transformations in metallic grain boundaries. Nature Communications. 4: 1899. PMID 23695693 DOI: 10.1038/ncomms2919  1
2013 Ozoliņš V, Zhou F, Asta M. Ruthenia-based electrochemical supercapacitors: insights from first-principles calculations. Accounts of Chemical Research. 46: 1084-93. PMID 23560700 DOI: 10.1021/ar3002987  0.52
2013 Yang Y, Asta M, Laird BB. Solid-liquid interfacial premelting. Physical Review Letters. 110: 096102. PMID 23496728 DOI: 10.1103/PhysRevLett.110.096102  1
2013 Frolov T, Divinski SV, Asta M, Mishin Y. Effect of interface phase transformations on diffusion and segregation in high-angle grain boundaries Physical Review Letters. 110. DOI: 10.1103/PhysRevLett.110.255502  1
2013 Adland A, Karma A, Spatschek R, Buta D, Asta M. Phase-field-crystal study of grain boundary premelting and shearing in bcc iron Physical Review B - Condensed Matter and Materials Physics. 87. DOI: 10.1103/PhysRevB.87.024110  1
2013 Ophus C, Santala MK, Asta M, Radmilovic V. Structure and phase transitions at the interface between α-Al 2O3 and Pt Journal of Physics Condensed Matter. 25. DOI: 10.1088/0953-8984/25/23/232202  1
2013 Hanken BE, Asta M, Casey WH. Computational characterization of the internal bonding and solvation structure for [Nb10O28]aq 6- Physical Chemistry Chemical Physics. 15: 20929-20936. DOI: 10.1039/c3cp53574f  1
2013 Ray KG, Olmsted DL, Houndonougbo Y, Laird BB, Asta M. Origins of CH4/CO2 adsorption selectivity in zeolitic imidazolate frameworks: A van der waals density functional study Journal of Physical Chemistry C. 117: 14642-14651. DOI: 10.1021/jp404251m  1
2013 Houndonougbo Y, Signer C, He N, Morris W, Furukawa H, Ray KG, Olmsted DL, Asta M, Laird BB, Yaghi OM. A combined experimental-computational investigation of methane adsorption and selectivity in a series of isoreticular zeolitic imidazolate frameworks Journal of Physical Chemistry C. 117: 10326-10335. DOI: 10.1021/jp3096192  1
2013 Ozolinš V, Zhou F, Asta M. Ruthenia-based electrochemical supercapacitors: Insights from first-principles calculations Accounts of Chemical Research. 46: 1084-1093. DOI: 10.1021/ar3002987  1
2013 Sun Z, Liebscher CH, Huang S, Teng Z, Song G, Wang G, Asta M, Rawlings M, Fine ME, Liaw PK. New design aspects of creep-resistant NiAl-strengthened ferritic alloys Scripta Materialia. 68: 384-388. DOI: 10.1016/j.scriptamat.2012.10.040  1
2013 Van De Walle A, Tiwary P, De Jong M, Olmsted DL, Asta M, Dick A, Shin D, Wang Y, Chen LQ, Liu ZK. Efficient stochastic generation of special quasirandom structures Calphad: Computer Coupling of Phase Diagrams and Thermochemistry. 42: 13-18. DOI: 10.1016/j.calphad.2013.06.006  1
2013 Liebscher CH, Radmilovic V, Dahmen U, Asta M, Ghosh G. On the formation of hierarchically structured L21 -Ni 2TiAl type precipitates in a ferritic alloy Journal of Materials Science. 48: 2067-2075. DOI: 10.1007/s10853-012-6980-3  1
2012 Frolov T, Asta M. Step free energies at faceted solid-liquid interfaces from equilibrium molecular dynamics simulations. The Journal of Chemical Physics. 137: 214108. PMID 23231218 DOI: 10.1063/1.4769381  0.48
2012 Aguiar JA, Ramasse QM, Asta M, Browning ND. Investigating the electronic structure of fluorite-structured oxide compounds: Comparison of experimental EELS with first principles calculations Journal of Physics Condensed Matter. 24. PMID 22739407 DOI: 10.1088/0953-8984/24/29/295503  1
2012 Zheng XQ, Yang Y, Gao YF, Hoyt JJ, Asta M, Sun DY. Disorder trapping during crystallization of the B2-ordered NiAl compound. Physical Review. E, Statistical, Nonlinear, and Soft Matter Physics. 85: 041601. PMID 22680482 DOI: 10.1103/PhysRevE.85.041601  1
2012 Hanken BE, Shvareva TY, Grønbech-Jensen N, Stanek CR, Asta M, Navrotsky A. Energetics of cation mixing in urania-ceria solid solutions with stoichiometric oxygen concentrations. Physical Chemistry Chemical Physics : Pccp. 14: 5680-5. PMID 22434034 DOI: 10.1039/c2cp40295e  0.32
2012 Solomon J, Adelstein N, Asta M, De Jonghe LC. Charge-compensating pyrophosphate defect structures in Sr-doped LaPO 4 Ecs Transactions. 45: 117-120. DOI: 10.1149/1.3701299  1
2012 Markus I, Adelstein N, Asta M, De Jonghe LC. Ab initio calculation of the energy landscape for protons in DyPO 4 Ecs Transactions. 45: 111-115. DOI: 10.1149/1.3701298  1
2012 Zheng XQ, Yang Y, Gao YF, Hoyt JJ, Asta M, Sun DY. Disorder trapping during crystallization of the B2-ordered NiAl compound Physical Review E - Statistical, Nonlinear, and Soft Matter Physics. 85. DOI: 10.1103/PhysRevE.85.041601  1
2012 De Jong M, Olmsted DL, Van De Walle A, Asta M. First-principles study of the structural and elastic properties of rhenium-based transition-metal alloys Physical Review B - Condensed Matter and Materials Physics. 86. DOI: 10.1103/PhysRevB.86.224101  1
2012 Ray KG, Olmsted D, He N, Houndonougbo Y, Laird BB, Asta M. Van der Waals density functional study of CO 2 binding in zeolitic imidazolate frameworks Physical Review B - Condensed Matter and Materials Physics. 85. DOI: 10.1103/PhysRevB.85.085410  1
2012 Ding H, Ray KG, Ozolins V, Asta M. Structural and vibrational properties of α-MoO 3 from van der Waals corrected density functional theory calculations Physical Review B - Condensed Matter and Materials Physics. 85. DOI: 10.1103/PhysRevB.85.012104  1
2012 Fensin SJ, Asta M, Hoagland RG. Temperature dependence of the structure and shear response of a Σ11 asymmetric tilt grain boundary in copper from molecular-dynamics Philosophical Magazine. 92: 4320-4333. DOI: 10.1080/14786435.2012.705911  1
2012 Frolov T, Asta M. Step free energies at faceted solid-liquid interfaces from equilibrium molecular dynamics simulations Journal of Chemical Physics. 137. DOI: 10.1063/1.4769381  1
2012 Adelstein N, Neaton JB, Asta M, De Jonghe LC. First-principles studies of proton-Ba interactions in doped LaPO 4 Journal of Materials Chemistry. 22: 3758-3763. DOI: 10.1039/c2jm16214h  1
2012 Hanken BE, Shvareva TY, Grønbech-Jensen N, Stanek CR, Asta M, Navrotsky A. Energetics of cation mixing in urania-ceria solid solutions with stoichiometric oxygen concentrations Physical Chemistry Chemical Physics. 14: 5680-5685. DOI: 10.1039/c2cp40295e  1
2012 Morris W, He N, Ray KG, Klonowski P, Furukawa H, Daniels IN, Houndonougbo YA, Asta M, Yaghi OM, Laird BB. A combined experimental-computational study on the effect of topology on carbon dioxide adsorption in zeolitic imidazolate frameworks Journal of Physical Chemistry C. 116: 24084-24090. DOI: 10.1021/jp307170a  1
2012 Ding H, Huang S, Ghosh G, Liaw PK, Asta M. A computational study of impurity diffusivities for 5d transition metal solutes in α-Fe Scripta Materialia. 67: 732-735. DOI: 10.1016/j.scriptamat.2012.06.010  1
2012 Radetic T, Ophus C, Olmsted DL, Asta M, Dahmen U. Mechanism and dynamics of shrinking island grains in mazed bicrystal thin films of Au Acta Materialia. 60: 7051-7063. DOI: 10.1016/j.actamat.2012.09.012  1
2012 Yang Y, Olmsted DL, Asta M, Laird BB. Atomistic characterization of the chemically heterogeneous Al-Pb solid-liquid interface Acta Materialia. 60: 4960-4971. DOI: 10.1016/j.actamat.2012.05.016  1
2012 Hoyt JJ, Asta M, Karma A. Atomistic Simulations of Solute Trapping and Solute Drag Solidification of Containerless Undercooled Melts. 363-380. DOI: 10.1002/9783527647903.ch17  1
2012 Woodward C, Lill J, Asta M, Trinkle DR. Molecular-dynamics simulations of molten Ni-based superalloys Proceedings of the International Symposium On Superalloys. 537-545. DOI: 10.1002/9781118516430.ch59  1
2012 Woodward C, Asta M, Trinkle DR, Lill J. Molecular-dynamics simulations of Ni-based superalloys Tms Annual Meeting. 2: 325-329.  1
2012 Woodward C, Lill J, Asta M, Trinkle DR. Molecular-dynamics simulations of molten Ni-based superalloys Proceedings of the International Symposium On Superalloys. 537-545.  1
2011 Radmilovic V, Ophus C, Marquis EA, Rossell MD, Tolley A, Gautam A, Asta M, Dahmen U. Highly monodisperse core-shell particles created by solid-state reactions. Nature Materials. 10: 710-5. PMID 21822262 DOI: 10.1038/nmat3077  1
2011 Yang Y, Humadi H, Buta D, Laird BB, Sun D, Hoyt JJ, Asta M. Atomistic simulations of nonequilibrium crystal-growth kinetics from alloy melts. Physical Review Letters. 107: 025505. PMID 21797620 DOI: 10.1103/PhysRevLett.107.025505  1
2011 Olmsted DL, Buta D, Adland A, Foiles SM, Asta M, Karma A. Dislocation-pairing transitions in hot grain boundaries. Physical Review Letters. 106: 046101. PMID 21405338  0.72
2011 Olmsted DL, Buta D, Adland A, Foiles SM, Asta M, Karma A. Dislocation-pairing transitions in hot grain boundaries Physical Review Letters. 106. DOI: 10.1103/PhysRevLett.106.046101  1
2011 Hanken BE, Stanek CR, Grønbech-Jensen N, Asta M. Computational study of the energetics of charge and cation mixing in U 1-xCexO2 Physical Review B - Condensed Matter and Materials Physics. 84. DOI: 10.1103/PhysRevB.84.085131  1
2011 Alexandrov V, Shvareva TY, Hayun S, Asta M, Navrotsky A. Actinide dioxides in water: Interactions at the interface Journal of Physical Chemistry Letters. 2: 3130-3134. DOI: 10.1021/jz201458x  1
2011 Shvareva TY, Alexandrov V, Asta M, Navrotsky A. Energetics of mixing in ThO 2-CeO 2 fluorite solid solutions Journal of Nuclear Materials. 419: 72-75. DOI: 10.1016/j.jnucmat.2011.08.002  1
2011 Choudhury S, Barnard L, Tucker JD, Allen TR, Wirth BD, Asta M, Morgan D. Ab-initio based modeling of diffusion in dilute bcc Fe-Ni and Fe-Cr alloys and implications for radiation induced segregation Journal of Nuclear Materials. 411: 1-14. DOI: 10.1016/j.jnucmat.2010.12.231  1
2011 Palafox-Hernandez JP, Laird BB, Asta M. Atomistic characterization of the Cu-Pb solid-liquid interface Acta Materialia. 59: 3137-3144. DOI: 10.1016/j.actamat.2011.01.053  1
2010 Morris W, Leung B, Furukawa H, Yaghi OK, He N, Hayashi H, Houndonougbo Y, Asta M, Laird BB, Yaghi OM. A combined experimental-computational investigation of carbon dioxide capture in a series of isoreticular zeolitic imidazolate frameworks. Journal of the American Chemical Society. 132: 11006-8. PMID 20698658 DOI: 10.1021/ja104035j  1
2010 Fensin SJ, Olmsted D, Buta D, Asta M, Karma A, Hoyt JJ. Structural disjoining potential for grain-boundary premelting and grain coalescence from molecular-dynamics simulations. Physical Review. E, Statistical, Nonlinear, and Soft Matter Physics. 81: 031601. PMID 20365741 DOI: 10.1103/PhysRevE.81.031601  1
2010 Alexandrov V, Grønbech-Jensen N, Navrotsky A, Asta M. First-principles computational study of defect clustering in solid solutions of ThO2 with trivalent oxides Physical Review B - Condensed Matter and Materials Physics. 82. DOI: 10.1103/PhysRevB.82.174115  1
2010 Yang Y, Gao YF, Sun DY, Asta M, Hoyt JJ. Capillary force induced structural deformation in liquid infiltrated elastic circular tubes Physical Review B - Condensed Matter and Materials Physics. 81. DOI: 10.1103/PhysRevB.81.241407  1
2010 Mendelev MI, Rahman MJ, Hoyt JJ, Asta M. Molecular-dynamics study of solid-liquid interface migration in fcc metals Modelling and Simulation in Materials Science and Engineering. 18. DOI: 10.1088/0965-0393/18/7/074002  1
2010 Monk J, Yang Y, Mendelev MI, Asta M, Hoyt JJ, Sun DY. Determination of the crystal-melt interface kinetic coefficient from molecular dynamics simulations Modelling and Simulation in Materials Science and Engineering. 18. DOI: 10.1088/0965-0393/18/1/015004  1
2010 Woodward C, Asta M, Trinkle DR, Lill J, Angioletti-Uberti S. Ab initio simulations of molten Ni alloys Journal of Applied Physics. 107. DOI: 10.1063/1.3437644  1
2010 Pisutha-Arnond N, Yang B, Lim DH, Asta M, Thornton K. Stability of strained thin films with interface misfit dislocations: A multiscale computational study Thin Solid Films. 519: 809-817. DOI: 10.1016/j.tsf.2010.08.100  1
2010 Song H, Fensin SJ, Asta M, Hoyt JJ. A molecular dynamics simulation of (1 1 0) surface premelting in Ni Scripta Materialia. 63: 128-131. DOI: 10.1016/j.scriptamat.2010.03.032  1
2010 Jeon B, Asta M, Valone SM, Grønbech-Jensen N. Simulation of ion-track ranges in uranium oxide Nuclear Instruments and Methods in Physics Research, Section B: Beam Interactions With Materials and Atoms. 268: 2688-2693. DOI: 10.1016/j.nimb.2010.06.004  1
2010 Gao YF, Yang Y, Sun DY, Asta M, Hoyt JJ. Molecular dynamics simulations of the crystal-melt interface mobility in HCP Mg and BCC Fe Journal of Crystal Growth. 312: 3238-3242. DOI: 10.1016/j.jcrysgro.2010.07.051  1
2010 Huang S, Worthington DL, Asta M, Ozolins V, Ghosh G, Liaw PK. Calculation of impurity diffusivities in α-Fe using first-principles methods Acta Materialia. 58: 1982-1993. DOI: 10.1016/j.actamat.2009.11.041  1
2010 Mishin Y, Asta M, Li J. Atomistic modeling of interfaces and their impact on microstructure and properties Acta Materialia. 58: 1117-1151. DOI: 10.1016/j.actamat.2009.10.049  1
2010 Houndonougbo Y, He N, Laird BB, Asta M. Molecular simulation of adsorption in zeolitic imidazolate frameworks (ZIFs) for gas capture and separation 10aiche - 2010 Aiche Annual Meeting, Conference Proceedings 1
2009 Haxhimali T, Buta D, Asta M, Voorhees PW, Hoyt JJ. Size-dependent nucleation kinetics at nonplanar nanowire growth interfaces. Physical Review. E, Statistical, Nonlinear, and Soft Matter Physics. 80: 050601. PMID 20364939 DOI: 10.1103/PhysRevE.80.050601  1
2009 Laird BB, Davidchack RL, Yang Y, Asta M. Determination of the solid-liquid interfacial free energy along a coexistence line by Gibbs-Cahn integration. The Journal of Chemical Physics. 131: 114110. PMID 19778103 DOI: 10.1063/1.3231693  1
2009 Hoyt JJ, Olmsted D, Jindal S, Asta M, Karma A. Method for computing short-range forces between solid-liquid interfaces driving grain boundary premelting. Physical Review. E, Statistical, Nonlinear, and Soft Matter Physics. 79: 020601. PMID 19391697 DOI: 10.1103/PhysRevE.79.020601  1
2009 Rossell MD, Erni R, Asta M, Radmilovic V, Dahmen U. Atomic-resolution imaging of lithium in Al3 Li precipitates Physical Review B - Condensed Matter and Materials Physics. 80. DOI: 10.1103/PhysRevB.80.024110  1
2009 Becker CA, Olmsted DL, Asta M, Hoyt JJ, Foiles SM. Atomistic simulations of crystal-melt interfaces in a model binary alloy: Interfacial free energies, adsorption coefficients, and excess entropy Physical Review B - Condensed Matter and Materials Physics. 79. DOI: 10.1103/PhysRevB.79.054109  1
2009 Mendelev MI, Asta M, Rahman MJ, Hoyt JJ. Development of interatomic potentials appropriate for simulation of solid-liquid interface properties in Al-Mg alloys Philosophical Magazine. 89: 3269-3285. DOI: 10.1080/14786430903260727  1
2009 Aguiar JA, Asta M, Grønbech-Jensen N, Browning ND. Studying the electronic structure of uranium dioxide Microscopy and Microanalysis. 15: 1380-1381. DOI: 10.1017/S1431927609092344  1
2009 Asta M, Beckermann C, Karma A, Kurz W, Napolitano R, Plapp M, Purdy G, Rappaz M, Trivedi R. Solidification microstructures and solid-state parallels: Recent developments, future directions Acta Materialia. 57: 941-971. DOI: 10.1016/j.actamat.2008.10.020  1
2009 Thornton K, Nola S, Edwin Garcia R, Asta M, Olson GB. Computational materials science and engineering education: A survey of trends and needs Jom. 61: 12-17. DOI: 10.1007/s11837-009-0142-3  1
2008 Buta D, Asta M, Hoyt JJ. Atomistic simulation study of the structure and dynamics of a faceted crystal-melt interface. Physical Review. E, Statistical, Nonlinear, and Soft Matter Physics. 78: 031605. PMID 18851047 DOI: 10.1103/PhysRevE.78.031605  1
2008 Warschkow O, Wang Y, Subramanian A, Asta M, Marks LD. Structure and local-equilibrium thermodynamics of the c(2x2) reconstruction of rutile TiO2 (100). Physical Review Letters. 100: 086102. PMID 18352638 DOI: 10.1103/PhysRevLett.100.086102  1
2008 Woodward C, Trinkle DR, Asta M, Lill J, Angioletti-Uberti S. Ab-initio molecular dynamics simulations of molten Ni-based superalloys 2008 Proceedings of the Department of Defense High Performance Computing Modernization Program: Users Group Conference - Solving the Hard Problems. 169-174. DOI: 10.1109/DoD.HPCMP.UGC.2008.15  1
2008 Angioletti-Uberti S, Asta M, Finnis MW, Lee PD. Solid-liquid phase equilibria from free-energy perturbation calculations Physical Review B - Condensed Matter and Materials Physics. 78. DOI: 10.1103/PhysRevB.78.134203  1
2008 Yang B, Muppidi T, Ozoliņš V, Asta M. First-principles theory of nanoscale pattern formation in ultrathin alloy films: A comparative study of Fe-Ag on Ru(0001) and Mo(110) substrates Physical Review B - Condensed Matter and Materials Physics. 77. DOI: 10.1103/PhysRevB.77.205408  1
2008 Manley ME, Asta M, Lashley JC, Retford CM, Hults WL, Taylor RD, Thoma DJ, Smith JL, Hackenberg RE, Littrell K. Soft-phonon feature, site defects, and a frustrated phase transition in Ni50 Ti47 Fe3: Experiments and first-principles calculations Physical Review B - Condensed Matter and Materials Physics. 77. DOI: 10.1103/PhysRevB.77.024201  1
2008 Mendelev MI, Kramer MJ, Becker CA, Asta M. Analysis of semi-empirical interatomic potentials appropriate for simulation of crystalline and liquid Al and Cu Philosophical Magazine. 88: 1723-1750. DOI: 10.1080/14786430802206482  1
2008 Yang B, Muppidi T, Ozolins V, Asta M. Strong effect of substrate symmetry and pre-patterning on self-assembly of compositional patterns Surface Science. 602: L123-L126. DOI: 10.1016/j.susc.2008.07.041  1
2008 Ghosh G, van de Walle A, Asta M. First-principles calculations of the structural and thermodynamic properties of bcc, fcc and hcp solid solutions in the Al-TM (TM = Ti, Zr and Hf) systems: A comparison of cluster expansion and supercell methods Acta Materialia. 56: 3202-3221. DOI: 10.1016/j.actamat.2008.03.006  1
2008 Neugebauer J, Asta M. Modern developments in multiphysics materials simulations Physica Status Solidi (B) Basic Research. 245: 2617. DOI: 10.1002/pssb.200840539  1
2007 Buta D, Asta M, Hoyt JJ. Kinetic coefficient of steps at the Si(111) crystal-melt interface from molecular dynamics simulations. The Journal of Chemical Physics. 127: 074703. PMID 17718623 DOI: 10.1063/1.2754682  1
2007 Becker CA, Hoyt JJ, Buta D, Asta M. Crystal-melt interface stresses: atomistic simulation calculations for a Lennard-Jones binary alloy, Stillinger-Weber Si, and embedded atom method Ni. Physical Review. E, Statistical, Nonlinear, and Soft Matter Physics. 75: 061610. PMID 17677276 DOI: 10.1103/PhysRevE.75.061610  1
2007 Becker CA, Olmsted D, Asta M, Hoyt JJ, Foiles SM. Atomistic underpinnings for orientation selection in alloy dendritic growth. Physical Review Letters. 98: 125701. PMID 17501136 DOI: 10.1103/PhysRevLett.98.125701  1
2007 Lanier CH, Van De Walle A, Erdman N, Landree E, Warschkow O, Kazimirov A, Poeppelmeier KR, Zegenhagen J, Asta M, Marks LD. Atomic-scale structure of the SrTi O3 (001) -c (6×2) reconstruction: Experiments and first-principles calculations Physical Review B - Condensed Matter and Materials Physics. 76. DOI: 10.1103/PhysRevB.76.045421  1
2007 Liu JZ, Ghosh G, Van De Walle A, Asta M. Transferable force-constant modeling of vibrational thermodynamic properties in fcc-based Al-TM (TM=Ti, Zr, Hf) alloys Physical Review B - Condensed Matter and Materials Physics. 75. DOI: 10.1103/PhysRevB.75.104117  1
2007 Retford CM, Asta M, Miksis MJ, Voorhees PW, Webb EB. Energetics of {105}-faceted Ge nanowires on Si(001): An atomistic calculation of edge contributions Physical Review B - Condensed Matter and Materials Physics. 75. DOI: 10.1103/PhysRevB.75.075311  1
2007 Xia ZG, Sun DY, Asta M, Hoyt JJ. Molecular dynamics calculations of the crystal-melt interfacial mobility for hexagonal close-packed Mg Physical Review B - Condensed Matter and Materials Physics. 75. DOI: 10.1103/PhysRevB.75.012103  1
2007 Fine ME, Liu JZ, Asta MD. An unsolved mystery: The composition of bcc Cu alloy precipitates in bcc Fe and steels Materials Science and Engineering A. 463: 271-274. DOI: 10.1016/j.msea.2006.07.164  1
2007 Ghosh G, Vaynman S, Asta M, Fine ME. Stability and elastic properties of L12-(Al,Cu)3(Ti,Zr) phases: Ab initio calculations and experiments Intermetallics. 15: 44-54. DOI: 10.1016/j.intermet.2006.03.003  1
2007 Ghosh G, Van De Walle A, Asta M. First-principles phase stability calculations of pseudobinary alloys of (Al,Zn) 3Ti with L1 2, D0 22, and D0 23 structures Journal of Phase Equilibria and Diffusion. 28: 9-22. DOI: 10.1007/s11669-006-9007-4  1
2006 Becker CA, Asta M, Hoyt JJ, Foiles SM. Equilibrium adsorption at crystal-melt interfaces in Lennard-Jones alloys. The Journal of Chemical Physics. 124: 164708. PMID 16674158 DOI: 10.1063/1.2185628  1
2006 Moore CJ, Retford CM, Beck MJ, Asta M, Miksis MJ, Voorhees PW. Orientation dependence of strained-Ge surface energies near (001): role of dimer-vacancy lines and their interactions with steps. Physical Review Letters. 96: 126101. PMID 16605929 DOI: 10.1103/PhysRevLett.96.126101  1
2006 Wu KA, Karma A, Hoyt JJ, Asta M. Ginzburg-Landau theory of crystalline anisotropy for bcc-liquid interfaces Physical Review B - Condensed Matter and Materials Physics. 73. DOI: 10.1103/PhysRevB.73.094101  1
2006 Sun DY, Mendelev MI, Becker CA, Kudin K, Haxhimali T, Asta M, Hoyt JJ, Karma A, Srolovitz DJ. Crystal-melt interfacial free energies in hcp metals: A molecular dynamics study of Mg Physical Review B - Condensed Matter and Materials Physics. 73. DOI: 10.1103/PhysRevB.73.024116  1
2006 Hoyt JJ, Asta M, Sun DY. Molecular dynamics simulations of the crystal-melt interfacial free energy and mobility in Mo and V Philosophical Magazine. 86: 3651-3664. DOI: 10.1080/14786430500156625  1
2006 Yang B, Asta M, Mryasov ON, Klemmer TJ, Chantrell RW. Corrigendum to "The nature of A1-L10 ordering transitions in alloy nanoparticles: A Monte Carlo study" [Acta Mater. 54 (2006) 4201-4211] (DOI:10.1016/j.actamat.2006.05.013) Acta Materialia. 54: 5335. DOI: 10.1016/j.actamat.2006.08.006  1
2006 Yang B, Asta M, Mryasov ON, Klemmer TJ, Chantrell RW. The nature of A1-L10 ordering transitions in alloy nanoparticles: A Monte Carlo study Acta Materialia. 54: 4201-4211. DOI: 10.1016/j.actamat.2006.05.013  1
2006 Ghosh G, Delsante S, Borzone G, Asta M, Ferro R. Phase stability and cohesive properties of Ti-Zn intermetallics: First-principles calculations and experimental results Acta Materialia. 54: 4977-4997. DOI: 10.1016/j.actamat.2006.04.038  1
2006 Cao W, Zhu J, Zhang F, Oates WA, Asta M, Chang YA. Application of the cluster/site approximation to the calculation of coherent interphase boundary energies Acta Materialia. 54: 377-383. DOI: 10.1016/j.actamat.2005.09.010  1
2006 Marquis EA, Seidman DN, Asta M, Woodward C. Composition evolution of nanoscale Al3Sc precipitates in an Al-Mg-Sc alloy: Experiments and computations Acta Materialia. 54: 119-130. DOI: 10.1016/j.actamat.2005.08.035  1
2006 Stair K, Liu JZ, Asta M. Ultra-sonic measurement and computation of elastic constants Asee Annual Conference and Exposition, Conference Proceedings 1
2006 Kim WS, Wang QJ, Liu S, Asta M. Simulation of steady and unsteady state surface temperatures under sliding imperfect electrical contact between rough surfaces 23rd International Conference On Electrical Contacts, Icec 2006 - Together With the 6th International Session On Electromechanical Devices, Is-Emd 2006. 226-231.  1
2005 Reichert H, Schöps A, Ramsteiner IB, Bugaev VN, Shchyglo O, Udyansky A, Dosch H, Asta M, Drautz R, Honkimäki V. Competition between order and phase separation in Au-Ni. Physical Review Letters. 95: 235703. PMID 16384319 DOI: 10.1103/PhysRevLett.95.235703  1
2005 Shklyaev OE, Beck MJ, Asta M, Miksis MJ, Voorhees PW. Role of strain-dependent surface energies in Ge/Si(100) island formation. Physical Review Letters. 94: 176102. PMID 15904314 DOI: 10.1103/PhysRevLett.94.176102  1
2005 Ghosh G, Asta M. Phase stability, phase transformations, and elastic properties of Cu6Sn5: Ab initio calculations and experimental results Journal of Materials Research. 20: 3102-3117. DOI: 10.1557/JMR.2005.0371  1
2005 Liu JZ, Van De Walle A, Ghosh G, Asta M. Structure, energetics, and mechanical stability of Fe-Cu bcc alloys from first-principles calculations Physical Review B - Condensed Matter and Materials Physics. 72. DOI: 10.1103/PhysRevB.72.144109  1
2005 Benedek R, Van De Walle A, Gerstl SSA, Asta M, Seidman DN, Woodward C. Partitioning of solutes in multiphase Ti-Al alloys Physical Review B - Condensed Matter and Materials Physics. 71. DOI: 10.1103/PhysRevB.71.094201  1
2005 Ozoliņš V, Sadigh B, Asta M. Effects of vibrational entropy on the Al-Si phase diagram Journal of Physics Condensed Matter. 17: 2197-2210. DOI: 10.1088/0953-8984/17/13/017  1
2005 Yang B, Asta M, Mryasov ON, Klemmer TJ, Chantrell RW. Equilibrium Monte Carlo simulations of A1-L10 ordering in FePt nanoparticles Scripta Materialia. 53: 417-422. DOI: 10.1016/j.scriptamat.2005.04.038  1
2005 Ghosh G, Asta M. First-principles calculation of structural energetics of Al-TM (TM = Ti, Zr, Hf) intermetallics Acta Materialia. 53: 3225-3252. DOI: 10.1016/j.actamat.2005.03.028  1
2005 Kim WS, Liu S, Wang QJ, Asta M, Cheng HS. Numerical modeling of surface temperature rising on imperfect sliding electrical contact Proceedings of the World Tribology Congress Iii - 2005. 889-890.  1
2005 Ghosh G, Van De Walle A, Asta M. First-principles phase stability calculations of L12, DO 22 and DO23 structures in Al-TM(=Ti,Zr,Hf)-Zn systems Proceedings of An International Conference On Solid-Solid Phase Transformations in Inorganic Materials 2005. 2: 651-656.  1
2003 Erdman N, Warschkow O, Asta M, Poeppelmeier KR, Ellis DE, Marks LD. Surface structures of SrTiO3 (001): a TiO2-rich reconstruction with a c(4 x 2) unit cell. Journal of the American Chemical Society. 125: 10050-6. PMID 12914468 DOI: 10.1021/ja034933h  1
2003 Marquis EA, Seidman DN, Asta M, Woodward C, Ozoliņs V. Mg segregation at Al/Al3Sc heterophase interfaces on an atomic scale: experiments and computations. Physical Review Letters. 91: 036101. PMID 12906429 DOI: 10.1103/PhysRevLett.91.036101  0.52
2002 Erdman N, Poeppelmeier KR, Asta M, Warschkow O, Ellis DE, Marks LD. The structure and chemistry of the TiO(2)-rich surface of SrTiO(3) (001). Nature. 419: 55-8. PMID 12214229 DOI: 10.1038/nature01010  1
2002 Krack BD, Ozoliņs V, Asta M, Daruka I. "Devil's staircases" in bulk-immiscible ultrathin alloy films. Physical Review Letters. 88: 186101. PMID 12005701 DOI: 10.1103/PhysRevLett.88.186101  0.36
2002 Ozoliņs V, Asta M, Hoyt JJ. Elastic relaxations in ultrathin epitaxial alloy films. Physical Review Letters. 88: 096101. PMID 11864030 DOI: 10.1103/PhysRevLett.88.096101  0.96
2001 Hoyt JJ, Asta M, Karma A. Method for computing the anisotropy of the solid-liquid interfacial free energy. Physical Review Letters. 86: 5530-3. PMID 11415293 DOI: 10.1103/PhysRevLett.86.5530  0.96
2001 Thayer GE, Ozolins V, Schmid AK, Bartelt NC, Asta M, Hoyt JJ, Chiang S, Hwang RQ. Role of stress in thin film alloy thermodynamics: competition between alloying and dislocation formation. Physical Review Letters. 86: 660-3. PMID 11177906 DOI: 10.1103/PhysRevLett.86.660  1
2001 Ozoliņs V, Asta M. Large vibrational effects upon calculated phase boundaries in Al-Sc. Physical Review Letters. 86: 448-51. PMID 11177852 DOI: 10.1103/PhysRevLett.86.448  0.36
2000 Hoyt JJ, Asta M, Sadigh B. Test of the universal scaling law for the diffusion coefficient in liquid metals. Physical Review Letters. 85: 594-7. PMID 10991348 DOI: 10.1103/PhysRevLett.85.594  0.96
1993 Asta M, McCormack R, de Fontaine D. Theoretical study of alloy phase stability in the Cd-Mg system. Physical Review. B, Condensed Matter. 48: 748-766. PMID 10007930  0.96
1993 McCormack R, Asta M, de Fontaine D, Garbulsky G, Ceder G. hcp Ising model in the cluster-variation approximation. Physical Review. B, Condensed Matter. 48: 6767-6780. PMID 10006839  0.96
1992 Asta M, de Fontaine D, van Schilfgaarde M, Sluiter M, Methfessel M. First-principles phase-stability study of fcc alloys in the Ti-Al system. Physical Review. B, Condensed Matter. 46: 5055-5072. PMID 10004279  0.96
1991 Asta M, Ceder G, de Fontaine D. Comment on "Nucleated and continuous ordering in Cu3Au" Physical Review Letters. 66: 1798. PMID 10043310  0.96
1991 Wolverton C, Asta M, Dreyssé H, de Fontaine D. Effective cluster interactions from cluster-variation formalism. II. Physical Review. B, Condensed Matter. 44: 4914-4924. PMID 9998298  0.96
1991 Asta M, Wolverton C, de Fontaine D, Dreyssé H. Effective cluster interactions from cluster-variation formalism. I. Physical Review. B, Condensed Matter. 44: 4907-4913. PMID 9998297  0.96
1990 Ceder G, Asta M, Carter WC, Kraitchman M, de Fontaine D, Mann ME, Sluiter M. Phase diagram and low-temperature behavior of oxygen ordering in YBa2Cu3Oz using ab initio interactions. Physical Review. B, Condensed Matter. 41: 8698-8701. PMID 9993207 DOI: 10.1103/PhysRevB.41.8698  1
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