相关参考文献
注意:仅列出部分参考文献,下载原文获取全部文献信息。Evaluation of thermal conductivity and its structural dependence of a single nanodiamond using molecular dynamics simulation
Hiroki Matsubara et al.
DIAMOND AND RELATED MATERIALS (2020)
Toward realistic computer modeling of paraffin-based composite materials: critical assessment of atomic-scale models of paraffins (vol 9, pg 38854, 2019)
Igor V. Volgin et al.
RSC ADVANCES (2020)
Assessment of GAFF2 and OPLS-AA General Force Fields in Combination with the Water Models TIP3P, SPCE, and OPC3 for the Solvation Free Energy of Druglike Organic Molecules
Dario Vassetti et al.
JOURNAL OF CHEMICAL THEORY AND COMPUTATION (2019)
From GROMACS to LAMMPS: GRO2LAM: A converter for molecular dynamics software
Hernan Chavez Thielemann et al.
JOURNAL OF MOLECULAR MODELING (2019)
Heat Flux for Many-Body Interactions: Corrections to LAMMPS
Paul Boone et al.
JOURNAL OF CHEMICAL THEORY AND COMPUTATION (2019)
Toward realistic computer modeling of paraffin-based composite materials: critical assessment of atomic-scale models of paraffins
Artyom D. Glova et al.
RSC ADVANCES (2019)
Application of atomic stress to compute heat flux via molecular dynamics for systems with many-body interactions
Donatas Surblys et al.
PHYSICAL REVIEW E (2019)
n-Alkanes Phase Change Materials and Their Microencapsulation for Thermal Energy Storage: A Critical Review
Hao Peng et al.
ENERGY & FUELS (2018)
Molecular Dynamics Simulations of the Crystallization Process of n-Alkane Mixtures and the Resulting Thermal Conductivity
Yi Zeng et al.
ENERGY & FUELS (2018)
Uncertainty quantification in non-equilibrium molecular dynamics simulations of thermal transport
Manav Vohra et al.
INTERNATIONAL JOURNAL OF HEAT AND MASS TRANSFER (2018)
Lessons learned from comparing molecular dynamics engines on the SAMPL5 dataset
Michael R. Shirts et al.
JOURNAL OF COMPUTER-AIDED MOLECULAR DESIGN (2017)
Effect of temperature and graphite particle fillers on thermal conductivity and viscosity of phase change material n-eicosane
Srilok Srinivasan et al.
INTERNATIONAL JOURNAL OF HEAT AND MASS TRANSFER (2017)
Experimental determination of temperature-dependent thermal conductivity of solid eicosane-based silver nanostructure-enhanced phase change materials for thermal energy storage
Rabih M. Al Ghossein et al.
INTERNATIONAL JOURNAL OF HEAT AND MASS TRANSFER (2017)
Equivalence of the EMD- and NEMD-based decomposition of thermal conductivity into microscopic building blocks
Hiroki Matsubara et al.
JOURNAL OF CHEMICAL PHYSICS (2017)
Thermal conductivity enhancement of paraffin by adding boron nitride nanostructures: A molecular dynamics study
Changpeng Lin et al.
APPLIED THERMAL ENGINEERING (2017)
Effect of non-covalent functionalisation on thermal and mechanical properties of graphene-polymer nanocomposites
Yu Wang et al.
CARBON (2016)
A molecular dynamics study of the effect of thermal boundary conductance on thermal transport of ideal crystal of n-alkanes with different number of carbon atoms
Rouzbeh Rastgarkafshgarkolaei et al.
JOURNAL OF APPLIED PHYSICS (2016)
Role of Chain Morphology and Stiffness in Thermal Conductivity of Amorphous Polymers
Teng Zhang et al.
JOURNAL OF PHYSICAL CHEMISTRY B (2016)
Thermal conductivity of polymer-based composites: Fundamentals and applications
Hongyu Chen et al.
PROGRESS IN POLYMER SCIENCE (2016)
Molecular-dynamics calculation of the thermal conduction in phase change materials of graphene paraffin nanocomposites
Yu-Ren Huang et al.
INTERNATIONAL JOURNAL OF HEAT AND MASS TRANSFER (2015)
Molecular dynamics simulations of thermal conductivity of carbon nanotubes: Resolving the effects of computational parameters
Richard N. Salaway et al.
INTERNATIONAL JOURNAL OF HEAT AND MASS TRANSFER (2014)
MDWiZ: A platform for the automated translation of molecular dynamics simulations
Victor H. Rusu et al.
JOURNAL OF MOLECULAR GRAPHICS & MODELLING (2014)
Increased Thermal Conductivity of Eicosane-Based Composite Phase Change Materials in the Presence of Graphene Nanoplatelets
Xin Fang et al.
ENERGY & FUELS (2013)
Thermal conductivity enhancement of paraffins by increasing the alignment of molecules through adding CNT/graphene
Hasan Babaei et al.
INTERNATIONAL JOURNAL OF HEAT AND MASS TRANSFER (2013)
Optimization of the OPLS-AA Force Field for Long Hydrocarbons
Shirley W. I. Siu et al.
JOURNAL OF CHEMICAL THEORY AND COMPUTATION (2012)
MOLECULAR DYNAMICS CALCULATIONS OF THE THERMAL CONDUCTIVITY OF MOLECULAR LIQUIDS, POLYMERS, AND CARBON NANOTUBES
Elena A. Algaer et al.
SOFT MATERIALS (2012)
Thermal performance of a novel heat transfer fluid containing multiwalled carbon nanotubes and microencapsulated phase change materials
Kalpana Tumuluri et al.
INTERNATIONAL JOURNAL OF HEAT AND MASS TRANSFER (2011)
Update of the CHARMM All-Atom Additive Force Field for Lipids: Validation on Six Lipid Types
Jeffery B. Klauda et al.
JOURNAL OF PHYSICAL CHEMISTRY B (2010)
Review on thermal energy storage with phase change materials and applications
Atul Sharma et al.
RENEWABLE & SUSTAINABLE ENERGY REVIEWS (2009)
GROMACS: Fast, flexible, and free
D Van der Spoel et al.
JOURNAL OF COMPUTATIONAL CHEMISTRY (2005)
Thermal conductivities of molecular liquids by reverse nonequilibrium molecular dynamics
MM Zhang et al.
JOURNAL OF PHYSICAL CHEMISTRY B (2005)
Development and testing of a general amber force field
JM Wang et al.
JOURNAL OF COMPUTATIONAL CHEMISTRY (2004)
Comparison of atomic-level simulation methods for computing thermal conductivity
PK Schelling et al.
PHYSICAL REVIEW B (2002)
An improved GROMOS96 force field for aliphatic hydrocarbons in the condensed phase
LD Schuler et al.
JOURNAL OF COMPUTATIONAL CHEMISTRY (2001)