Ab Initio Calculation of Elastic Constants of Ceramic CrystalsH Yao, L Ouyang, WY Ching
Journal of the American Ceramic Society 90 (10), 3194-3204, 2007
366 2007 Tailoring magnetic behavior of CoFeMnNiX (X= Al, Cr, Ga, and Sn) high entropy alloys by metal doping T Zuo, MC Gao, L Ouyang, X Yang, Y Cheng, R Feng, S Chen, PK Liaw, ...
Acta Materialia 130, 10-18, 2017
320 2017 Interesting physical properties of the new spinel phase of Si 3 N 4 and C 3 N 4 SD Mo, L Ouyang, WY Ching, I Tanaka, Y Koyama, R Riedel
Physical Review Letters 83 (24), 5046, 1999
252 1999 Electronic structure and bonding in calcium apatite crystals: Hydroxyapatite, fluorapatite, chlorapatite, and bromapatite P Rulis, L Ouyang, WY Ching
Physical Review B—Condensed Matter and Materials Physics 70 (15), 155104, 2004
229 2004 High-throughput design of high-performance lightweight high-entropy alloys R Feng, C Zhang, MC Gao, Z Pei, F Zhang, Y Chen, D Ma, K An, ...
Nature Communications 12 (1), 4329, 2021
203 2021 Thermodynamics of concentrated solid solution alloys MC Gao, C Zhang, P Gao, F Zhang, LZ Ouyang, M Widom, JA Hawk
Current Opinion in Solid State and Materials Science 21 (5), 238-251, 2017
202 2017 Ab initio study of the physical properties of : Lattice dynamics, bulk properties, electronic structure, bonding, optical properties, and ELNES/XANES spectraWY Ching, L Ouyang, P Rulis, H Yao
Physical Review B—Condensed Matter and Materials Physics 78 (1), 014106, 2008
130 2008 Theoretical prediction of the structure and properties of cubic spinel nitrides WY Ching, SD Mo, L Ouyang, P Rulis, I Tanaka, M Yoshiya
Journal of the American Ceramic Society 85 (1), 75-80, 2002
129 2002 Electronic and optical properties of Y 2 SiO 5 and Y 2 Si 2 O 7 with comparisons to α-SiO 2 and Y 2 O 3 WY Ching, L Ouyang, YN Xu
Physical Review B 67 (24), 245108, 2003
110 2003 Full ab initio geometry optimization of all known crystalline phases of Si 3 N 4 WY Ching, L Ouyang, JD Gale
Physical Review B 61 (13), 8696, 2000
110 2000 Electronic structure, bonding, charge distribution, and x-ray absorption spectra of the (001) surfaces of fluorapatite and hydroxyapatite from first principles P Rulis, H Yao, L Ouyang, WY Ching
Physical Review B—Condensed Matter and Materials Physics 76 (24), 245410, 2007
98 2007 Accurate redetermination of the X-ray structure and electronic bonding in adenosylcobalamin L Ouyang, P Rulis, WY Ching, G Nardin, L Randaccio
Inorganic chemistry 43 (4), 1235-1241, 2004
97 2004 The electronic structure and spectroscopic properties of 3C, 2H, 4H, 6H, 15R and 21R polymorphs of SiC WY Ching, YN Xu, P Rulis, L Ouyang
Materials Science and Engineering: A 422 (1-2), 147-156, 2006
93 2006 Computational modeling of high-entropy alloys: Structures, thermodynamics and elasticity MC Gao, P Gao, JA Hawk, L Ouyang, DE Alman, M Widom
Journal of Materials Research 32 (19), 3627-3641, 2017
85 2017 Prediction of the new spinel phase of Ti 3 N 4 and SiTi 2 N 4 and the metal-insulator transition WY Ching, SD Mo, L Ouyang, I Tanaka, M Yoshiya
Physical Review B 61 (16), 10609, 2000
85 2000 Vacancy-enhanced ferromagnetism in Fe-doped rutile J Chen, P Rulis, L Ouyang, S Satpathy, WY Ching
Physical Review B—Condensed Matter and Materials Physics 74 (23), 235207, 2006
76 2006 Electronic and optical properties of the cubic spinel phase of c− Si 3 N 4, c− Ge 3 N 4, c− SiGe 2 N 4, and c− GeSi 2 N 4 WY Ching, SD Mo, L Ouyang
Physical Review B 63 (24), 245110, 2001
74 2001 Complex Nonlinear Deformation of Nanometer Intergranular Glassy Films in J Chen, L Ouyang, P Rulis, A Misra, WY Ching
Physical review letters 95 (25), 256103, 2005
69 2005 Electronic and dielectric properties of insulating Zr 3 N 4 WY Ching, YN Xu, L Ouyang
Physical Review B 66 (23), 235106, 2002
63 2002 Ab initio theoretical tensile test on Y-doped Σ= 3 grain boundary in α-Al2O3 J Chen, YN Xu, P Rulis, L Ouyang, WY Ching
Acta materialia 53 (2), 403-410, 2005
56 2005