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Molecular dynamics study on the contribution of anisotropic phonon transmission to thermal conductivity of silicon
期刊论文
JOURNAL OF PHYSICS-CONDENSED MATTER, 2022, 卷号: 34, 期号: 43, 页码: 10
Authors:
Cheng, Chao
;
Wang, Shaoqing
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Submit date:2022/10/08
Fourier projection method
molecular dynamics
anharmonic vibration
thermal conductivity
Efficiently Calculating Anharmonic Frequencies of Molecular Vibration by Molecular Dynamics Trajectory Analysis
期刊论文
ACS OMEGA, 2019, 卷号: 4, 期号: 5, 页码: 9271-9283
Authors:
Wang, Shaoqing
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Submit date:2021/02/02
Efficiently Calculating Anharmonic Frequencies of Molecular Vibration by Molecular Dynamics Trajectory Analysis
期刊论文
ACS OMEGA, 2019, 卷号: 4, 期号: 5, 页码: 9271-9283
Authors:
Wang, Shaoqing
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Submit date:2021/02/02
Raman spectrometry study of phase stability and phonon anharmonicity of Al(3)BC(3) at elevated temperatures and high pressures
期刊论文
Journal of Applied Physics, 2011, 卷号: 110, 期号: 11
Authors:
H. M. Xiang
;
F. Z. Li
;
J. J. Li
;
J. M. Wang
;
X. H. Wang
;
J. Y. Wang
;
Y. C. Zhou
Adobe PDF(1577Kb)
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Submit date:2012/04/13
Boron-carbide
Mechanical-properties
Thermal-expansion
Optical
Phonons
Dependence
Aluminum
1st-principles
Calibration
Composites
Crystal
Density functional theory investigation of the phonon instability, thermal equation of state and melting curve of Mo
期刊论文
Physical Chemistry Chemical Physics, 2011, 卷号: 13, 期号: 4, 页码: 1669-1675
Authors:
Z. Y. Zeng
;
C. E. Hu
;
X. R. Chen
;
X. L. Zhang
;
L. C. Cai
;
F. Q. Jing
Adobe PDF(982Kb)
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Submit date:2012/04/13
X-ray-diffraction
Shock Compression
Transition-metals
Molybdenum
Pressure
Behavior
Gradient
Gpa
Ta
The theory of bio-energy transport in the protein molecules and its properties
期刊论文
Physics of Life Reviews, 2011, 卷号: 8, 期号: 3, 页码: 264-286
Authors:
X. F. Pang
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Submit date:2012/04/13
Protein
Biological Energy
Amide
Soliton
Quasi-coherent State
Lifetime
Alpha-helix Protein
Davydov Soliton Dynamics
3 Channels
Infrared-absorption
Finite-temperature
Vibron Solitons
Improved
Model
Characteristic Parameters
Thermodynamic Properties
Crystalline
Acetanilide
Elastic properties of Ti-24Nb-4Zr-8Sn single crystals with bcc crystal structure
期刊论文
Acta Materialia, 2011, 卷号: 59, 期号: 8, 页码: 3081-3090
Authors:
Y. W. Zhang
;
S. J. Li
;
E. G. Obbard
;
H. Wang
;
S. C. Wang
;
Y. L. Hao
;
R. Yang
Adobe PDF(1328Kb)
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Submit date:2012/04/13
Titanium Alloy
Body-centered Cubic Crystal
Elastic Moduli
Elastic
Constants
Elastic Deformation
Plastic-deformation
Youngs Modulus
Gum Metal
Behavior
Superelasticity
Alloys
Mechanism
Symmetry
Strength
Silicon
First-principles determination of the structure, elastic constant, phase diagram and thermodynamics of NiTi alloy
期刊论文
Physica B-Condensed Matter, 2010, 卷号: 405, 期号: 17, 页码: 3665-3672
Authors:
Z. Y. Zeng
;
C. E. Hu
;
L. C. Cai
;
X. R. Chen
;
F. Q. Jing
Adobe PDF(615Kb)
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Submit date:2012/04/13
Niti
Thermodynamics
Elastic Constant
Density Functional Theory
Shape-memory Alloys
Augmented-wave Method
Neutron-diffraction
Internal Frictions
Lattice Stability
1st Principles
Temperature
Pressure
Moduli
Transformation
Changes of properties of the soliton with temperature under influences of structure disorder in the alpha-helix protein molecules with three channels
期刊论文
Molecular Physics, 2010, 卷号: 108, 期号: 10, 页码: 1297-1315
Authors:
X. F. Pang
;
J. F. Yu
;
M. J. Liu
Adobe PDF(2053Kb)
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Submit date:2012/04/13
Energy Transport
Thermal Stability
Temperature Effect
Numerical
Simulation
Transported Bio-energy
Davydov-like Solitons
Quantum Monte-carlo
Finite-temperature
Improved Model
Characteristic Parameters
Thermodynamic Properties
Biological Temperature
Infrared-absorption
Thermal-stability
Polarized Raman scattering study of blue bronze Tl(0.3)MoO(3)
期刊论文
Physica B-Condensed Matter, 2010, 卷号: 405, 期号: 17, 页码: 3782-3786
Authors:
D. Yin
;
Q. M. Zhang
;
J. Oiler
;
C. Z. Li
;
R. Xiong
;
J. Shi
Adobe PDF(707Kb)
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Submit date:2012/04/13
Blue Bronze Tl(0.3)Moo(3)
Charge Density Wave
Raman Spectra
Transition
Charge-density Waves
Infrared Reflectivity
Crystal-structure
Low-temperatures
Midgap-state
K0.3moo3
K0.30moo3
Rb0.3moo3
Spectra
Conductor