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Steven M Valone - Publications

Affiliations: 
Materials Science and Technology Los Alamos National Laboratory, Los Alamos, NM, United States 
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38 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
2015 Valone SM, Pilania G, Liu XY, Allen JR, Wu TC, Atlas SR, Dunlap DH. Communication: Fragment-based Hamiltonian model of electronic charge-excitation gaps and gap closure. The Journal of Chemical Physics. 143: 181104. PMID 26567638 DOI: 10.1063/1.4935931  0.316
2015 Pilania G, Liu XY, Valone SM. First principles approach to ionicity of fragments Chemical Physics. 448: 26-33. DOI: 10.1016/J.Chemphys.2014.12.013  0.328
2014 Pilania G, Thijsse BJ, Hoagland RG, Lazić I, Valone SM, Liu XY. Revisiting the Al/Al₂O₃ interface: coherent interfaces and misfit accommodation. Scientific Reports. 4: 4485. PMID 24670940 DOI: 10.1038/Srep04485  0.317
2014 Valone SM, Atlas SR, Baskes MI. Fragment Hamiltonian model potential for nickel: metallic character and defects in crystalline lattices Modelling and Simulation in Materials Science and Engineering. 22: 45013. DOI: 10.1088/0965-0393/22/4/045013  0.352
2012 Lee T, Baskes MI, Lawson AC, Chen SP, Valone SM. Atomistic Modeling of the Negative Thermal Expansion in δ- Plutonium Based on the Two-State Description. Materials (Basel, Switzerland). 5: 1040-1054. PMID 28817023 DOI: 10.3390/Ma5061040  0.381
2012 Lee T, Baskes MI, Valone SM, Doll JD. Atomistic modeling of thermodynamic equilibrium and polymorphism of iron. Journal of Physics. Condensed Matter : An Institute of Physics Journal. 24: 225404. PMID 22585441 DOI: 10.1088/0953-8984/24/22/225404  0.544
2012 Valone SM. Models of Mixed Metal-Oxide Interfaces for Atomistic Materials Simulations Mrs Proceedings. 1444. DOI: 10.1557/Opl.2012.1160  0.325
2012 Valone SM, Baskes MI, Rudin SP. Stacking fault energy in FCC plutonium with multiple reference states in the modified embedded atom method Journal of Nuclear Materials. 422: 20-26. DOI: 10.1016/J.Jnucmat.2011.12.014  0.337
2011 Valone SM. Quantum Mechanical Origins of the Iczkowski-Margrave Model of Chemical Potential. Journal of Chemical Theory and Computation. 7: 2253-61. PMID 26606494 DOI: 10.1021/Ct200283Y  0.343
2010 Valone SM, Uberuaga BP, Liu XY, Jeon B, Chaudhry A, Grønbech-Jensen N. Cascade-driven mixing at metal oxide interfaces Nuclear Instruments and Methods in Physics Research, Section B: Beam Interactions With Materials and Atoms. 268: 3114-3116. DOI: 10.1016/J.Nimb.2010.05.066  0.349
2009 Valone SM, Levy M. Stretched hydrogen molecule from a constrained-search density-functional perspective Physical Review a - Atomic, Molecular, and Optical Physics. 80. DOI: 10.1103/Physreva.80.042501  0.34
2009 Hu S, Henager CH, Heinisch HL, Stan M, Baskes MI, Valone SM. Phase-field modeling of gas bubbles and thermal conductivity evolution in nuclear fuels Journal of Nuclear Materials. 392: 292-300. DOI: 10.1016/J.Jnucmat.2009.03.017  0.314
2008 Valone SM. Toward Modeling Charge-Defect Reactions at the Atomistic Level Mrs Proceedings. 1104. DOI: 10.1557/Proc-1104-Nn08-04  0.318
2008 Uberuaga BP, Valone SM. Simulations of vacancy cluster behavior in δ-Pu Journal of Nuclear Materials. 375: 144-150. DOI: 10.1016/J.Jnucmat.2008.01.001  0.328
2008 Valone SM, Li J, Jindal S. Quantum-based models of charge-dependent potential energy surfaces: Three-state models International Journal of Quantum Chemistry. 108: 1452-1464. DOI: 10.1002/Qua.21659  0.339
2007 Baskes MI, Srinivasan SG, Valone SM, Hoagland RG. Multistate modified embedded atom method Physical Review B - Condensed Matter and Materials Physics. 75. DOI: 10.1103/Physrevb.75.094113  0.368
2007 Uberuaga BP, Valone SM, Baskes MI. Accelerated dynamics study of vacancy mobility in δ-plutonium Journal of Alloys and Compounds. 444: 314-319. DOI: 10.1016/J.Jallcom.2006.10.083  0.317
2007 Kubota A, Wolfer WG, Valone SM, Baskes MI. Collision cascades in pure δ -plutonium Journal of Computer-Aided Materials Design. 14: 367-378. DOI: 10.1007/S10820-007-9057-X  0.303
2007 Baskes MI, Hu SY, Valone SM, Wang GF, Lawson AC. Atomistic simulations of Ga atom ordering in Pu 5 at. % Ga alloys Journal of Computer-Aided Materials Design. 14: 379-388. DOI: 10.1007/S10820-007-9056-Y  0.314
2007 Valone SM, Baskes MI. Self-Irradiation Cascade Simulations in Plutonium Metal: Model Behavior at High Energy Journal of Computer-Aided Materials Design. 14: 357-365. DOI: 10.1007/S10820-007-9049-X  0.31
2006 Valone SM, Atlas SR. Energy dependence on fractional charge for strongly interacting subsystems. Physical Review Letters. 97: 256402. PMID 17280371 DOI: 10.1103/Physrevlett.97.256402  0.321
2006 Valone SM, Baskes MI, Martin RL. Atomistic model of helium bubbles in gallium-stabilized plutonium alloys Physical Review B - Condensed Matter and Materials Physics. 73. DOI: 10.1103/Physrevb.73.214209  0.333
2005 Baskes MI, Lawson AC, Valone SM. Lattice vibrations in δ-plutonium: Molecular dynamics calculation Physical Review B - Condensed Matter and Materials Physics. 72. DOI: 10.1103/Physrevb.72.014129  0.329
2005 Lawson AC, Roberts JA, Martinez B, Von Dreele RB, Storey B, Hawkins HT, Ramos M, Hampel FG, Davis CC, Pereyra RA, Mitchell JN, Freibert F, Valone SM, Claytor TN, Viskoe DA, et al. Lattice constants and anisotropic microstrain at low temperature in 242Pu-Ga alloys Philosophical Magazine. 85: 2007-2022. DOI: 10.1080/14786430412331314681  0.302
2004 Valone SM, Atlas SR. An empirical charge transfer potential with correct dissociation limits. The Journal of Chemical Physics. 120: 7262-73. PMID 15267635 DOI: 10.1063/1.1676118  0.358
2004 Valone SM, Baskes MI, Stan M, Mitchell TE, Lawson AC, Sickafus KE. Simulations of low energy cascades in fcc Pu metal at 300 K and constant volume Journal of Nuclear Materials. 324: 41-51. DOI: 10.1016/J.Jnucmat.2003.09.006  0.379
1995 Valone SM. Carbon Atom, Dimer and Trimer Chemistry on Diamond Surfaces from Molecular Dynamics Simulations Mrs Proceedings. 389: 53. DOI: 10.1557/Proc-389-53  0.32
1994 Valone SM. A dimensionally scaled generalization of constrained search energy density functionals International Journal of Quantum Chemistry. 49: 591-600. DOI: 10.1002/Qua.560490505  0.305
1991 Valone SM. Density and one-matrix functionals generated by constrained-search theory Physical Review B. 44: 1509-1522. PMID 9999684 DOI: 10.1103/Physrevb.44.1509  0.315
1990 Valone SM, Trkula M, Laia JR. Possible behavior of a diamond (111) surface in methane/hydrogen systems Journal of Materials Research. 5: 2296-2304. DOI: 10.1557/Jmr.1990.2296  0.319
1989 Valone SM. Barriers to the Nucleation of Methyl Groups on the Diamond (111) Surface Mrs Proceedings. 155: 227. DOI: 10.1557/Proc-155-227  0.317
1987 Valone SM, Voter AF, Doll JD. Erratum: The influence of substrate motion on the self‐diffusion of hydrogen and its isotopes on the copper (100) surface [J. Chem. Phys. 85, 7480 (1986)] The Journal of Chemical Physics. 87: 2407-2407. DOI: 10.1063/1.453130  0.52
1986 Valone SM, Voter AF, Doll JD. The influence of substrate motion on the self-diffusion of hydrogen and its isotopes on the copper (100) surface The Journal of Chemical Physics. 85: 7480-7486. DOI: 10.1063/1.451337  0.573
1985 Valone SM, Voter AF, Doll JD. The isotope and temperature dependence of self-diffusion for hydrogen, deuterium, and tritium on Cu(100) in the 100-1000 K range Surface Science. 155: 687-699. DOI: 10.1016/0039-6028(85)90022-6  0.577
1984 Valone SM, Doll JD. A coverage study of the self-diffusion and chemical diffusion constants for disordered overlayers of Xe on W(110) Surface Science. 139: 478-490. DOI: 10.1016/0039-6028(84)90065-7  0.514
1983 McDowell HK, Valone SM, Doll JD. Numerical simulations of adatom pair distribution functions Surface Science. 131: 511-516. DOI: 10.1016/0039-6028(83)90295-9  0.529
1982 Valone SM, Doll JD, Keith McDowell H. Potentials of mean force for adatoms on surfaces Surface Science. 119: 71-78. DOI: 10.1016/0039-6028(82)90188-1  0.523
1980 Valone SM. Consequences of extending 1‐matrix energy functionals from pure–state representable to all ensemble representable 1 matrices Journal of Chemical Physics. 73: 1344-1349. DOI: 10.1063/1.440249  0.304
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