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Chirality transitions and transport properties of individual few-walled carbon nanotubes as revealed by in situ TEM probing 期刊论文
ULTRAMICROSCOPY, 2018, 卷号: 194, 页码: 108-116
Authors:  Tang, DM;  Kvashnin, DG;  Cretu, O;  Nemoto, Y;  Uesugi, F;  Takeguchi, M;  Zhou, X;  Hsia, FC;  Liu, C;  Sorokin, PB;  Kawamoto, N;  Mitome, M;  Cheng, HM;  Golberg, D;  Bando, Y
Favorite  |  View/Download:4/0  |  Submit date:2018/12/25
Carbon nanotubes  Chirality  In situ transmission electron microscopy  Nanobeam electron diffraction  Metal-to-semiconductor transition  Molecular dynamics simulation  
Atomic size and chemical effects of alloying elements Cu, Mg and Si on the structure and dynamics of molten 8090-based AlLi alloy 期刊论文
INTERNATIONAL JOURNAL OF CAST METALS RESEARCH, 2018, 卷号: 31, 期号: 2, 页码: 93-98
Authors:  Zhu, XM;  Liu, D;  Wang, AM;  Duan, JP;  Yang, YS;  Tang, SQ;  Qin, JY
Favorite  |  View/Download:5/0  |  Submit date:2018/12/25
Al-Li alloy  molecular dynamic simulation  liquid alloy  short-range order  
Corrosion Inhibition Performance of Triazole Derivatives on Copper-Nickel Alloy in 3.5 wt.% NaCl Solution 期刊论文
JOURNAL OF MATERIALS ENGINEERING AND PERFORMANCE, 2015, 卷号: 24, 期号: 12, 页码: 4797-4808
Authors:  Jiang, B.;  Jiang, S. L.;  Liu, X.;  Ma, A. L.;  Zheng, Y. G.;  sljiang@imr.ac.cn;  ygzheng@imr.ac.cn
Favorite  |  View/Download:52/0  |  Submit date:2016/04/21
Copper-nickel Alloy  Corrosion Inhibition  Molecular Dynamic Simulation  Quantum Chemical Calculation  Triazole Derivatives  
A molecular dynamic investigation of viscosity and diffusion coefficient of nanoclusters in hydrocarbon fluids 期刊论文
Computational Materials Science, 2015, 卷号: 99, 页码: 242-246
Authors:  A.;  Stair Loya, J. L.;  Jafri, A. R.;  Yang, K.;  Ren, G. G.
Favorite  |  View/Download:129/0  |  Submit date:2015/05/08
Diffusion Coefficient  Nano-fluids  Molecular Dynamics  Viscosity  Lammps  Self-diffusion  Tribological Properties  Heat-transfer  Oil  Nanoparticles  Enhancement  Simulations  Nanofluids  Mixtures  Paraffin  
Monte Carlo Simulation of the Radius of Gyration of Hyperbranched Polymers Formed in Self-condensing Vinyl Polymerization System in the Presence of Core Initiators with Unequal Reactivity 期刊论文
Chemical Journal of Chinese Universities-Chinese, 2012, 卷号: 33, 期号: 1, 页码: 144-148
Authors:  Y. Zheng;  H. J. Wang
Favorite  |  View/Download:214/0  |  Submit date:2013/02/05
Self-condensing Vinyl Polymerization  Unequal Reactivity  Radius Of  Gyration  Monte Carlo Simulation  Molecular-weight Distribution  Multifunctional Initiator  Rate  Constants  Kinetic-model  Parameters  Monomers  
Thermoelastic parameter alpha K-T of sodium chloride at high pressure and high temperature 期刊论文
Journal of Physics and Chemistry of Solids, 2012, 卷号: 73, 期号: 8, 页码: 992-998
Authors:  X. W. Sun;  X. R. Chen;  J. Zhu;  Q. F. Chen;  L. C. Cai;  F. Q. Jing
Favorite  |  View/Download:257/0  |  Submit date:2013/02/05
Inorganic Compounds  Ab Initio Calculations  High Pressure  Thermodynamic Properties  Molecular-dynamics Simulation  Density-functional Theory  Equation-of-state  Alkali-halides  Thermodynamic Properties  Elevated-temperatures  Thermal Expansivity  Bulk Modulus  Ionic Solids  Nacl  
The properties of bio-energy transport and influence of structure nonuniformity and temperature of systems on energy transport along polypeptide chains 期刊论文
Progress in Biophysics & Molecular Biology, 2012, 卷号: 108, 期号: 1-2, 页码: 1-46
Authors:  X. F. Pang
Favorite  |  View/Download:210/0  |  Submit date:2013/02/05
Polypeptide Chain  Biological Energy  Soliton Transport  Thermal  Stability  Lifetime  Quasi-coherent State  Amino Acid  Structure  Nonuniformity  Temperature  Runge-kutta Way  Numerical Simulation  Experimental Evidence  Davydov Soliton Dynamics  Amide-i Band  Protein Molecules  Crystalline  Acetanilide  Finite-temperature  Living Systems  Infrared-absorption  Helical Proteins  Vibron Solitons  Improved Model  
Screw-rotation twinning through helical movement of triple-partials 期刊论文
Applied Physics Letters, 2012, 卷号: 101, 期号: 12
Authors:  P. Liu;  K. Du;  J. X. Zhang;  L. H. Wang;  Y. H. Yue;  E. Ma;  Y. F. Zhang;  Z. Zhang;  M. W. Chen;  X. D. Han
Favorite  |  View/Download:308/0  |  Submit date:2013/02/05
Atomic Mechanisms  Maximum Strength  Grain-boundary  Cubic Metals  Nanocrystalline  Copper  Nanowires  Gold  Microscopy  Simulation  
THE PROPERTIES OF PROTON CONDUCTIVITY ALONG THE HYDROGEN-BONDED MOLECULAR SYSTEMS WITH DAMPING UNDER INFLUENCES OF THERMAL PERTURBATION AND STRUCTURE NONUNIFORMITY 期刊论文
International Journal of Modern Physics B, 2011, 卷号: 25, 期号: 1, 页码: 55-71
Authors:  P. Xiao-Feng;  Y. Jia-Feng;  Z. Hong-Juan
Favorite  |  View/Download:235/0  |  Submit date:2012/04/13
Hydrogen Bond  Proton Transfer  Structure Nonuniformity  Thermal  Perturbation  Mobility  Rungekutta Method  Transported Bio-energy  Protein Molecules  Improved Model  Dynamic  Properties  Solitons  Mechanisms  Disorder  Quantum  Motion  Ice  
The Melting Curves and Entropy of Iron under High Pressure 期刊论文
Journal of Chemical and Engineering Data, 2011, 卷号: 56, 期号: 5, 页码: 2063-2070
Authors:  F. Luo;  Y. Cheng;  X. R. Chen;  L. C. Cai;  F. Q. Jing
Adobe PDF(953Kb)  |  Favorite  |  View/Download:606/309  |  Submit date:2012/04/13
Molecular-dynamics Simulations  Situ X-ray  Earths Core  In-situ  Mgsio3  Perovskite  Phase-diagram  Temperatures  Transition  Mgo  Physics