vasp 计算杨氏弹性_【求助完结】如何从弹性常数计算杨氏模量等多晶量? - 第一原理 - 小木虫 - 学术 科研 互动社区...
CODE:=====================================Elastic Stiffness Constants Cij (GPa)=====================================653.57581 113.01856 112.74049 0.00889 0.02486 0.04461113.01856 653...
CODE:
=====================================
Elastic Stiffness Constants Cij (GPa)
=====================================
653.57581 113.01856 112.74049 0.00889 0.02486 0.04461
113.01856 653.78298 112.85061 0.02369 0.03493 0.04540
112.74049 112.85061 653.24076 0.01411 0.02704 0.02592
0.00889 0.02369 0.01411 196.56862 -0.00337 -0.00188
0.02486 0.03493 0.02704 -0.00337 196.57395 -0.00119
0.04461 0.04540 0.02592 -0.00188 -0.00119 196.56893
========================================
Elastic Compliance Constants Sij (1/GPa)
========================================
0.0016121 -0.0002377 -0.0002371 -0.0000000 -0.0000001 -0.0000003
-0.0002377 0.0016116 -0.0002374 -0.0000002 -0.0000002 -0.0000003
-0.0002371 -0.0002374 0.0016128 -0.0000001 -0.0000001 -0.0000001
-0.0000000 -0.0000002 -0.0000001 0.0050873 0.0000001 0.0000000
-0.0000001 -0.0000002 -0.0000001 0.0000001 0.0050871 0.0000000
-0.0000003 -0.0000003 -0.0000001 0.0000000 0.0000000 0.0050873
Bulk modulus = 293.09090 +/- 0.647 (GPa)
Compressibility = 0.00341 (1/GPa)
Axis Young Modulus Poisson Ratios
(GPa)
X 620.32313 Exy= 0.1475 Exz= 0.1471
Y 620.48858 Eyx= 0.1475 Eyz= 0.1473
Z 620.05210 Ezx= 0.1470 Ezy= 0.1472
====================================================
Elastic constants for polycrystalline material (GPa)
====================================================
Voigt Reuss Hill
Bulk modulus : 293.09098 293.09090 293.09094
Shear modulus (Lame Mu) : 226.07496 220.65293 223.36394
Lame lambda : 142.37434 145.98895 144.18165
DAMO开发者矩阵,由阿里巴巴达摩院和中国互联网协会联合发起,致力于探讨最前沿的技术趋势与应用成果,搭建高质量的交流与分享平台,推动技术创新与产业应用链接,围绕“人工智能与新型计算”构建开放共享的开发者生态。
更多推荐


所有评论(0)