中国科学院机构知识库网格
Chinese Academy of Sciences Institutional Repositories Grid
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CAS IR Grid
机构
力学研究所 [3]
地质与地球物理研究所 [2]
数学与系统科学研究院 [1]
采集方式
OAI收割 [6]
内容类型
期刊论文 [5]
会议论文 [1]
发表日期
2022 [1]
2012 [1]
2011 [1]
2010 [2]
2008 [1]
学科主题
Materials ... [1]
固体力学::微机电系... [1]
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AN ORTHOGONALIZATION-FREE PARALLELIZABLE FRAMEWORK FOR ALL-ELECTRON CALCULATIONS IN DENSITY FUNCTIONAL THEORY
期刊论文
OAI收割
SIAM JOURNAL ON SCIENTIFIC COMPUTING, 2022, 卷号: 44, 期号: 3, 页码: B723-B745
作者:
Gao, Bin
;
Hu, Guanghu
;
Kuang, Yang
;
Liu, Xin
  |  
收藏
  |  
浏览/下载:25/0
  |  
提交时间:2023/02/07
Key words
density functional theory
all-electron calculations
total energy minimization
orthogonalization-free
scalability
Molecular statistical thermodynamics - A distinct and efficient numerical approach to quasi-static analysis of nanomaterials at finite temperature
期刊论文
OAI收割
Composites Part B-Engineering, 2012, 卷号: 43, 期号: 1, 页码: 57-63
作者:
Xiao P(肖攀)
;
Wang J(王军)
;
Ke FJ(柯孚久)
;
Bai YL(白以龙)
收藏
  |  
浏览/下载:28/0
  |  
提交时间:2012/12/04
free-energy-minimization
elastic properties
size
defects
solids
nanowires
mechanics
nano-structures
mechanical properties
computational modeling
micro-mechanics
SELF-ADAPTIVE MOLECULE/CLUSTER STATISTICAL THERMODYNAMICS METHOD FOR QUASI-STATIC DEFORMATION AT FINITE TEMPERATURE
期刊论文
OAI收割
Acta Mechanica Solida Sinica, 2011, 卷号: 24, 期号: 1, 页码: 92-100
作者:
Tan H(谭浩)
;
Wang HY(汪海英)
;
Xia MF(夏蒙棼)
;
Ke FJ(柯孚久)
;
Bai YL(白以龙)
收藏
  |  
浏览/下载:22/0
  |  
提交时间:2012/04/01
Self-Adaptive
Slip Shear Deformation
Particle Method Approximation
Refinement Criterion
Switching Criterion
Free-Energy-Minimization
Molecular-Dynamics
Continuum Models
Element
Solids
GFluid: An Excel spreadsheet for investigating C-O-H fluid composition under high temperatures and pressures
期刊论文
OAI收割
COMPUTERS & GEOSCIENCES, 2010, 卷号: 36, 期号: 4, 页码: 569-572
作者:
Zhang, Chi
  |  
收藏
  |  
浏览/下载:15/0
  |  
提交时间:2018/09/26
C-O-H fluid speciation
Free energy minimization
Equation of state (EOS)
GFluid: An Excel spreadsheet for investigating C-O-H fluid composition under high temperatures and pressures
期刊论文
OAI收割
COMPUTERS & GEOSCIENCES, 2010, 卷号: 36, 期号: 4, 页码: 569-572
作者:
Zhang, Chi
;
Duan, Zhenhao
  |  
收藏
  |  
浏览/下载:18/0
  |  
提交时间:2018/09/26
C-O-H fluid speciation
Free energy minimization
Equation of state (EOS)
Numerical simulation of thermal destruction of POPs agents in a reductive plasma-arc reactor and steam injected for syngas recovery
会议论文
OAI收割
27th Annual International Conference on Thermal Treatment Technologies 2008, Montreal, QC, Canada, May 12, 2008 - May 16, 2008
作者:
收藏
  |  
浏览/下载:26/0
  |  
提交时间:2017/06/01
Energy recovery
Equilibrium
Gibbs free energy minimization
POPs
Syngas