Chinese | English

Search in the results

IMECH-IR

Browse/Search Results:  1-10 of 192 Help

Selected(0)Clear Items/Page:    Sort:
Improved Quantum-Classical Treatment of N2-N2 Inelastic Collisions: Effect of the Potentials and Complete Rate Coefficient Data Sets 期刊论文
JOURNAL OF CHEMICAL THEORY AND COMPUTATION, 2023, 卷号: 19, 期号: 23, 页码: 8557-8571
Authors:  Hong QZ(洪启臻);  Storchi, Loriano;  Sun QH(孙泉华);  Bartolomei, Massimiliano;  Pirani, Fernando;  Coletti, Cecilia
Adobe PDF(5231Kb)  |  Favorite  |  View/Download：45/6  |  Submit date：2024/01/22
Shape optimization of a meniscus-adherent nanotip 期刊论文
NANOSCALE, 2023, 卷号: 15, 期号: 26, 页码: 11099-11106
Authors:  Tian SH(田诗豪);  Chen XD(陈旭东);  Yuan QZ(袁泉子)
Adobe PDF(1451Kb)  |  Favorite  |  View/Download：61/1  |  Submit date：2023/07/17
单原子层非晶碳材料的力学性能与变形机理 学位论文
博士论文，北京: 中国科学院大学, 2022
Authors:  谢文慧
Adobe PDF(5896Kb)  |  Favorite  |  View/Download：228/8  |  Submit date：2022/12/08
单原子层非晶碳（MAC）  二维材料的三维化构筑  类塑性变形  二维材料增韧  晶格无序  
单层分子膜黏附的能量与动力学 学位论文
博士论文，北京: 中国科学院大学, 2022
Authors:  常正华
Adobe PDF(9022Kb)  |  Favorite  |  View/Download：146/10  |  Submit date：2022/09/23
石墨烯  热波动  黏附强度  鼓泡法  石墨烯制备  
高温热化学非平衡流动的精细模拟研究 学位论文
博士论文，北京: 中国科学院大学, 2022
Authors:  洪启臻
Adobe PDF(11099Kb)  |  Favorite  |  View/Download：983/153  |  Submit date：2022/06/30
高超声速  热化学非平衡  振动松弛  态-态模拟  量子化学计算  
On the determination of Lennard-Jones parameters for polyatomic molecules 期刊论文
PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 2022, 卷号: 24, 期号: 17, 页码: 10147-10159
Authors:  Mo HR(莫晃锐);  You XQ;  Luo KH;  Robertson SH
Adobe PDF(10789Kb)  |  Favorite  |  View/Download：151/35  |  Submit date：2022/05/17
Molecular Dynamics Simulation of the Soret Effect on Two Binary Liquid Solutions with Equimolar n-Alkane Mixtures 期刊论文
ACS OMEGA, 2022, 期号: 7, 页码: 518-527
Authors:  Zhong J(钟军);  Zhao RB(赵仁保);  欧阳文泽;  Xu SH(徐升华)
Adobe PDF(2173Kb)  |  Favorite  |  View/Download：194/28  |  Submit date：2022/02/17
Intrinsic sodium occurrence in Zhundong coal: Experimental observations and molecular modeling 期刊论文
FUEL, 2021, 卷号: 305, 页码: 12
Authors:  Sun C(孙岑);  Wei XL(魏小林);  Kang RN(康润宁);  Bin F(宾峰);  Li S(李森)
Adobe PDF(9737Kb)  |  Favorite  |  View/Download：317/58  |  Submit date：2021/11/01
Alkali metal occurrence model  Zhundong coal  Molecular model  DFT  NMR  
Tension-compression asymmetry of the stress-strain behavior of the stacked graphene assembly: Experimental measurement and theoretical interpretation 期刊论文
JOURNAL OF THE MECHANICS AND PHYSICS OF SOLIDS, 2021, 卷号: 157, 页码: 16
Authors:  Gao, Yang;  Xie, Yujie;  Wei, Anran;  Wei YJ(魏宇杰);  Chen, Tao;  Yao, Haimin
Adobe PDF(8646Kb)  |  Favorite  |  View/Download：265/39  |  Submit date：2021/11/01
Two-dimensional materials  Thin film  Stoney equation  Stacked assembly  Less-cohesive materials  
Vibrational Energy Transfer in CO+N-2 Collisions: A Database for V-V and V-T/R Quantum-Classical Rate Coefficients 期刊论文
MOLECULES, 2021, 卷号: 26, 期号: 23, 页码: 27
Authors:  Hong QZ(洪启臻);  Bartolomei, Massimiliano;  Coletti, Cecilia;  Lombardi, Andrea;  Sun QH(孙泉华);  Pirani, Fernando
Adobe PDF(735Kb)  |  Favorite  |  View/Download：261/17  |  Submit date：2022/03/05
vibrational energy transfer  inelastic scattering  potential energy surface  rate coefficients database  quantum-classical nuclear dynamics  quasi-classical trajectories