Transport coefficients of normal liquid helium-4 calculated by path integral centroid molecular dynamics simulation
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DOI: 10.1016/j.cplett.2017.01.034
Abstract: Abstract Thermal conductivity, shear viscosity, and bulk viscosity of normal liquid 4 He at 1.7–4.0 K are calculated using path integral centroid molecular dynamics (CMD) simulations. The calculated thermal conductivity and shear viscosity above lambda transition… read more here.
Keywords: viscosity; centroid molecular; shear viscosity; integral centroid ... See more keywords
First principles isothermal-isobaric centroid molecular dynamics simulation of high pressure ices
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DOI: 10.1016/j.cplett.2019.01.008
Abstract: Abstract To assess the performance of our implemented first principles isothermal-isobaric centroid molecular dynamics (CMD) we performed Born-Oppenheimer (BO) CMD simulations in the NPT ensemble for high pressure ices (HPIs) VIII, VII, and X at… read more here.
Keywords: isothermal isobaric; first principles; principles isothermal; isobaric centroid ... See more keywords