Year |
Citation |
Score |
2018 |
Parthasarathy R, Misra A, Ouyang L. Finite-temperature Stress Calculations in Atomic Models using Moments of Position. Journal of Physics. Condensed Matter : An Institute of Physics Journal. PMID 29767631 DOI: 10.1088/1361-648X/Aac52F |
0.33 |
|
2017 |
Gao MC, Gao P, Hawk JA, Ouyang L, Alman DE, Widom M. Computational modeling of high-entropy alloys: Structures, thermodynamics and elasticity Journal of Materials Research. 32: 3627-3641. DOI: 10.1557/Jmr.2017.366 |
0.331 |
|
2017 |
Zuo T, Gao MC, Ouyang L, Yang X, Cheng Y, Feng R, Chen S, Liaw PK, Hawk JA, Zhang Y. Tailoring magnetic behavior of CoFeMnNiX (X = Al, Cr, Ga, and Sn) high entropy alloys by metal doping Acta Materialia. 130: 10-18. DOI: 10.1016/J.Actamat.2017.03.013 |
0.342 |
|
2015 |
Aryal S, Sakidja R, Ouyang L, Ching WY. Elastic and electronic properties of Ti2Al(CxN1-x) solid solutions Journal of the European Ceramic Society. 35: 3219-3227. DOI: 10.1016/J.Jeurceramsoc.2015.03.023 |
0.572 |
|
2013 |
Aryal S, Gao MC, Ouyang L, Rulis P, Ching WY. Ab initio studies of Mo-based alloys: Mechanical, elastic, and vibrational properties Intermetallics. 38: 116-125. DOI: 10.1016/J.Intermet.2013.03.002 |
0.691 |
|
2011 |
Aryal S, Rulis P, Ouyang L, Ching WY. Structure and properties of the low-density phase ι-Al 2O3 from first principles Physical Review B - Condensed Matter and Materials Physics. 84. DOI: 10.1103/Physrevb.84.174123 |
0.714 |
|
2011 |
Liang L, Rulis P, Ouyang L, Ching WY. Ab initio investigation of hydrogen bonding and network structure in a supercooled model of water Physical Review B - Condensed Matter and Materials Physics. 83. DOI: 10.1103/Physrevb.83.024201 |
0.699 |
|
2010 |
Ching WY, Rulis P, Ouyang L, Aryal S, Misra A. Theoretical study of the elasticity, mechanical behavior, electronic structure, interatomic bonding, and dielectric function of an intergranular glassy film model in prismatic β-Si3N4 Physical Review B - Condensed Matter and Materials Physics. 81. DOI: 10.1103/Physrevb.81.214120 |
0.762 |
|
2009 |
Ching WY, Rulis P, Ouyang L, Misra A. Ab initio tensile experiment on a model of an intergranular glassy film in β-Si3N4 with prismatic surfaces Applied Physics Letters. 94: 051907. DOI: 10.1063/1.3079800 |
0.723 |
|
2008 |
Ching WY, Ouyang L, Rulis P, Yao H. Ab initiostudy of the physical properties ofγ-Al2O3: Lattice dynamics, bulk properties, electronic structure, bonding, optical properties, and ELNES/XANES spectra Physical Review B. 78. DOI: 10.1103/Physrevb.78.014106 |
0.736 |
|
2007 |
Yao H, Ouyang L, Ching WY. Ab initio calculation of elastic constants of ceramic crystals Journal of the American Ceramic Society. 90: 3194-3204. DOI: 10.1111/J.1551-2916.2007.01931.X |
0.572 |
|
2007 |
Rulis P, Yao H, Ouyang L, Ching WY. Electronic structure, bonding, charge distribution, and x-ray absorption spectra of the (001) surfaces of fluorapatite and hydroxyapatite from first principles Physical Review B - Condensed Matter and Materials Physics. 76. DOI: 10.1103/Physrevb.76.245410 |
0.704 |
|
2007 |
Misra A, Ouyang L, Chen J, Ching WY. Ab initiocalculations of strain fields and failure patterns in silicon nitride intergranular glassy films Philosophical Magazine. 87: 3839-3852. DOI: 10.1080/14786430701422206 |
0.301 |
|
2006 |
MacNaughton JB, Moewes A, Lee JS, Wettig SD, Kraatz HB, Ouyang LZ, Ching WY, Kurmaev EZ. Dependence of DNA electronic structure on environmental and structural variations. The Journal of Physical Chemistry. B. 110: 15742-8. PMID 16898720 DOI: 10.1021/jp062516w |
0.512 |
|
2006 |
Chen J, Rulis P, Ouyang L, Satpathy S, Ching WY. Vacancy-enhanced ferromagnetism in Fe-doped rutile Ti O2 Physical Review B - Condensed Matter and Materials Physics. 74. DOI: 10.1103/Physrevb.74.235207 |
0.643 |
|
2006 |
Yang S, Ouyang L, Phillips JM, Ching WY. Density-functional calculation of methane adsorption on graphite (0001) Physical Review B - Condensed Matter and Materials Physics. 73. DOI: 10.1103/Physrevb.73.165407 |
0.329 |
|
2006 |
Ching W, Xu Y, Rulis P, Ouyang L. The electronic structure and spectroscopic properties of 3C, 2H, 4H, 6H, 15R and 21R polymorphs of SiC Materials Science and Engineering: A. 422: 147-156. DOI: 10.1016/J.Msea.2006.01.007 |
0.704 |
|
2006 |
Ching WY, Chen J, Rulis P, Ouyang L, Misra A. Ab initio modeling of clean and Y-doped grain boundaries in alumina and intergranular glassy films (IGF) in β-Si3N4 Journal of Materials Science. 41: 5061-5067. DOI: 10.1007/S10853-006-0446-4 |
0.72 |
|
2005 |
Chen J, Ouyang L, Rulis P, Misra A, Ching WY. Complex nonlinear deformation of nanometer intergranular glassy films in beta-Si3N4. Physical Review Letters. 95: 256103. PMID 16384476 DOI: 10.1103/Physrevlett.95.256103 |
0.721 |
|
2005 |
Ouyang L, Rulis P, Ching WY, Slouf M, Nardin G, Randaccio L. Electronic structure and bonding in hydroxocobalamin. Spectrochimica Acta. Part a, Molecular and Biomolecular Spectroscopy. 61: 1647-52. PMID 15820898 DOI: 10.1016/J.Saa.2004.11.066 |
0.765 |
|
2005 |
Rulis P, Chen J, Ouyang L, Ching WY, Su X, Garofalini SH. Electronic structure and bonding of intergranular glassy films in polycrystalline Si3N4: Ab initio studies and classical molecular dynamics simulations Physical Review B - Condensed Matter and Materials Physics. 71. DOI: 10.1103/Physrevb.71.235317 |
0.737 |
|
2005 |
Chen J, Ouyang L, Ching WY. Molecular dynamics simulation of Y-doped Σ37 grain boundary in alumina Acta Materialia. 53: 4111-4120. DOI: 10.1016/J.Actamat.2005.05.012 |
0.322 |
|
2005 |
Chen J, Xu Y, Rulis P, Ouyang L, Ching W. Ab initio theoretical tensile test on Y-doped Σ=3 grain boundary in α-Al2O3 Acta Materialia. 53: 403-410. DOI: 10.1016/J.Actamat.2004.09.035 |
0.728 |
|
2005 |
Ching WY, Ouyang L, Rulis P, Tanaka I. Prediction of the X-ray absorption near edge structure of the new high-density phase of SiO2 Physica Status Solidi (B). 242: R94-R96. DOI: 10.1002/Pssb.200541029 |
0.689 |
|
2005 |
Ouyang L, Ching WY. Prediction of a high-density phase of SiO2 with a high dielectric constant Physica Status Solidi (B) Basic Research. 242. DOI: 10.1002/Pssb.200510029 |
0.597 |
|
2004 |
Ouyang L, Rulis P, Ching WY, Nardin G, Randaccio L. Accurate redetermination of the X-ray structure and electronic bonding in adenosylcobalamin. Inorganic Chemistry. 43: 1235-41. PMID 14966957 DOI: 10.1021/Ic0348446 |
0.774 |
|
2004 |
Ching W, Mo S, Ouyang L, Rulis P, Tanaka I, Yoshiya M. Theoretical Prediction of the Structure and Properties of Cubic Spinel Nitrides Journal of the American Ceramic Society. 85: 75-80. DOI: 10.1111/J.1151-2916.2002.Tb00042.X |
0.733 |
|
2004 |
Rulis P, Ouyang L, Ching WY. Publisher's Note: Electronic structure and bonding in calcium apatite crystals: Hydroxyapatite, fluorapatite, chlorapatite, and bromapatite [Phys. Rev. B70, 155104 (2004)] Physical Review B. 70. DOI: 10.1103/Physrevb.70.199902 |
0.679 |
|
2004 |
Rulis P, Ouyang L, Ching WY. Electronic structure and bonding in calcium apatite crystals: Hydroxyapatite, fluorapatite, chlorapatite, and bromapatite Physical Review B - Condensed Matter and Materials Physics. 70. DOI: 10.1103/Physrevb.70.155104 |
0.708 |
|
2004 |
Ching WY, Ouyang L, Yao H, Xu YN. Electronic structure and bonding in the Y-Si-O-N quaternary crystals Physical Review B. 70. DOI: 10.1103/Physrevb.70.085105 |
0.452 |
|
2004 |
Ouyang L, Yao H, Richey S, Xu Y, Ching WY. Crystal structure and properties ofYSiO2N Physical Review B. 69. DOI: 10.1103/Physrevb.69.094112 |
0.332 |
|
2004 |
Leitch S, Moewes A, Ouyang L, Ching WY, Sekine T. Properties of non-equivalent sites and bandgap of spinel-phase silicon nitride Journal of Physics Condensed Matter. 16: 6469-6476. DOI: 10.1088/0953-8984/16/36/012 |
0.375 |
|
2004 |
Ouyang L, Ching WY. Electronic structure and dielectric properties of dielectric gate material (ZrO 2)x(SiO 2)1-x Journal of Applied Physics. 95: 7918-7924. DOI: 10.1063/1.1728291 |
0.335 |
|
2003 |
Kurmaev EZ, Moewes A, Ouyang L, Randaccio L, Rulis P, Ching WY, Bach M, Neumann M. The electronic structure and chemical bonding of vitamin B
12 Europhysics Letters (Epl). 62: 582-587. DOI: 10.1209/Epl/I2003-00390-9 |
0.712 |
|
2003 |
Ching W, Xu Y, Ouyang L. Electronic Structure and Bonding in Crystalline Y10[SiO4]6N2 Journal of the American Ceramic Society. 86: 1424-1426. DOI: 10.1111/J.1151-2916.2003.Tb03487.X |
0.642 |
|
2003 |
Ching WY, Ouyang L, Xu Y. Electronic and optical properties ofY2SiO5andY2Si2O7with comparisons to α-SiO2andY2O3 Physical Review B. 67. DOI: 10.1103/Physrevb.67.245108 |
0.311 |
|
2003 |
Ching WY, Xu Y, Ouyang L, Wong-Ng W. Comparative study of the electronic structure of ternary superconductors MoRuP and ZrRuP in the orthorhombic and hexagonal phases Journal of Applied Physics. 93: 8209-8211. DOI: 10.1063/1.1544521 |
0.362 |
|
2003 |
Ouyang L, Randaccio L, Rulis P, Kurmaev E, Moewes A, Ching W. Electronic structure and bonding in vitamin B12, cyanocobalamin Journal of Molecular Structure: Theochem. 622: 221-227. DOI: 10.1016/S0166-1280(02)00647-4 |
0.712 |
|
2003 |
Ching WY, Xu YN, Ouyang L. Electronic structure and bonding in crystalline Y10[SiO4]6N2 Journal of the American Ceramic Society. 86: 1424-1426. |
0.393 |
|
2002 |
Ching WY, Xu Y, Ouyang L. Electronic and dielectric properties of insulatingZr3N4 Physical Review B. 66. DOI: 10.1103/Physrevb.66.235106 |
0.46 |
|
2002 |
Ouyang L, Xu YN, Ching WY. Electronic structure of cubic and orthorhombic phases of ZrW2O8 Physical Review B - Condensed Matter and Materials Physics. 65: 1131101-1131104. DOI: 10.1103/Physrevb.65.113110 |
0.451 |
|
2002 |
Ouyang L, Ching WY. Structure and bonding in a cubic phase of SiAlON derived from the cubic spinel phase of Si3N4 Applied Physics Letters. 81: 229-231. DOI: 10.1063/1.1491004 |
0.579 |
|
2002 |
Ching WY, Xu YN, Ouyang L. Electronic and dielectric properties of insulating Zr3N4 Physical Review B - Condensed Matter and Materials Physics. 66: 2351061-23510610. |
0.365 |
|
2001 |
Ouyang L, Ching WY. Geometry Optimization and Ground-State Properties of Complex Ceramic Oxides Journal of the American Ceramic Society. 84: 801-805. DOI: 10.1111/J.1151-2916.2001.Tb00744.X |
0.554 |
|
2001 |
Ching WY, Mo S, Ouyang L. Electronic and optical properties of the cubic spinel phase ofc−Si3N4,c−Ge3N4,c−SiGe2N4,andc−GeSi2N4 Physical Review B. 63. DOI: 10.1103/Physrevb.63.245110 |
0.386 |
|
2000 |
Ching WY, Mo S, Ouyang L, Tanaka I, Yoshiya M. Prediction of the new spinel phase ofTi3N4andSiTi2N4and the metal-insulator transition Physical Review B. 61: 10609-10614. DOI: 10.1103/Physrevb.61.10609 |
0.359 |
|
1999 |
Mo S, Ouyang L, Ching WY, Tanaka I, Koyama Y, Riedel R. Interesting Physical Properties of the New Spinel Phase ofSi3N4andC3N4 Physical Review Letters. 83: 5046-5049. DOI: 10.1103/Physrevlett.83.5046 |
0.399 |
|
1999 |
Huang MZ, Ouyang L, Ching WY. Electron and phonon states in an ideal continuous random network model of a-SiO2 glass Physical Review B - Condensed Matter and Materials Physics. 59: 3540-3550. DOI: 10.1103/Physrevb.59.3540 |
0.463 |
|
1996 |
Ouyang L, Ching WY. Systematic approach to generate near-perfect periodic continuous random network models: Application to amorphous Si3N4. Physical Review. B, Condensed Matter. 54: R15594-R15597. PMID 9985710 DOI: 10.1103/Physrevb.54.R15594 |
0.567 |
|
1996 |
Ouyang L, Ching WY. Systematic approach to generate near-perfect periodic continuous random network models: Application to amorphous Si3N4 Physical Review B - Condensed Matter and Materials Physics. 54. |
0.51 |
|
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