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Contributions of molecular dynamics simulations to elastohydrodynamic lubrication
The prediction of friction under elastohydrodynamic lubrication (EHL) conditions remains
one of the most important and controversial areas of tribology. This is mostly because the …
one of the most important and controversial areas of tribology. This is mostly because the …
Comparison of force fields for the prediction of thermophysical properties of long linear and branched alkanes
The prediction of thermophysical properties at extreme conditions is an important application
of molecular simulations. The quality of these predictions primarily depends on the quality of …
of molecular simulations. The quality of these predictions primarily depends on the quality of …
GPU-accelerated molecular dynamics: State-of-art software performance and porting from Nvidia CUDA to AMD HIP
Classical molecular dynamics (MD) calculations represent a significant part of the utilization
time of high-performance computing systems. As usual, the efficiency of such calculations is …
time of high-performance computing systems. As usual, the efficiency of such calculations is …
Theoretical and computational approaches to predicting the viscosity of liquids
Predictive models for the shear viscosity of liquids and gases along with exact equations of
state are of great practical importance for hydrodynamic modeling of processes occurring in …
state are of great practical importance for hydrodynamic modeling of processes occurring in …
Evaluation of methods for viscosity simulations of lubricants at different temperatures and pressures: a case study on PAO-2
D Mathas, W Holweger, M Wolf, C Bohnert… - Tribology …, 2021 - Taylor & Francis
The behavior of lubricants at operational conditions, such as at high pressures, is a topic of
great industrial interest. In particular, viscosity and the viscosity-pressure relation are …
great industrial interest. In particular, viscosity and the viscosity-pressure relation are …
[HTML][HTML] Towards predicting liquid fuel physicochemical properties using molecular dynamics guided machine learning models
Accurate determination of fuel properties of complex mixtures over a wide range of pressure
and temperature conditions is essential to utilizing alternative fuels. The present work aims …
and temperature conditions is essential to utilizing alternative fuels. The present work aims …
Predicting shear viscosity of 1, 1-diphenylethane at high pressures by molecular dynamics methods
In this paper, we use the molecular dynamics methods to predict the pressure-viscosity
dependencies of model lubricant 1, 1-diphenylethane up to 800 MPa along three isotherms …
dependencies of model lubricant 1, 1-diphenylethane up to 800 MPa along three isotherms …
Calculating high-pressure PAO4 viscosity with equilibrium molecular dynamics simulations
LB Kruse, K Falk, M Moseler - Tribology Letters, 2024 - Springer
The development of optimized lubricants is hindered by missing knowledge of fluid
properties, in particular the viscosity, in the range of extreme pressures and temperatures …
properties, in particular the viscosity, in the range of extreme pressures and temperatures …
Viscosity evolution of water glycol in deep-sea environment at high pressure and low temperature
X Dingcheng, D Yipan, W Zhenyao, L Tianhao… - Journal of Molecular …, 2023 - Elsevier
Using water glycol as a working medium is an important development direction for deep sea
hydraulic drives, its viscosity is an important parameter for hydrodynamic lubrication and …
hydraulic drives, its viscosity is an important parameter for hydrodynamic lubrication and …
Impact of ad hoc post-processing parameters on the lubricant viscosity calculated with equilibrium molecular dynamics simulations
Viscosity is a crucial property of liquid lubricants, and it is theoretically a well-defined
quantity in molecular dynamics (MD) simulations. However, no standardized protocol has …
quantity in molecular dynamics (MD) simulations. However, no standardized protocol has …