Results 51 to 60 of about 3,479,040 (391)
Monte Carlo adaptive resolution simulation of multicomponent molecular liquids [PDF]
, 2013 Complex soft matter systems can be efficiently studied with the help of adaptive resolution simulation methods, concurrently employing two levels of resolution in different regions of the simulation domain.
Delgado-Buscalioni, Rafael +5 more
core +2 more sources
FEBS Letters, EarlyView.This study reveals a unique active site enriched in methionine residues and demonstrates that these residues play a critical role by stabilizing carbocation intermediates through novel sulfur–cation interactions. Structure‐guided mutagenesis further revealed variants with significantly altered product profiles, enhancing pseudopterosin formation. These
Marion Ringel +13 more
wiley +1 more source
Calculation of thermodynamic properties of water by the CPA equation of state
Natural Gas Industry B, 2017 An appreciable amount of formation water exists inevitably in the porous media of reservoirs, but the existence of water is often neglected in the usual calculation of phase equilibrium.
Ping Guo +3 more
doaj +1 more source
Improved method for calculating pump thermodynamic suppression head [PDF]
, 1971 Method of calculation improves by introducing the sound velocity of two phase flow into the equation for the vapor to liquid volume ratio. Comparisons of required net positive suction head and thermodynamic suppression head are made for a head ...
Kageyama, Y.
core +1 more source
Statistical Origin of Black Hole Entropy in Matrix Theory
, 1998 The statistical entropy of black holes in M-theory is considered. Assuming Matrix theory is the discretized light-cone quantization of a theory with eleven-dimensional Lorentz invariance, we map the counting problem onto the original Gibbons-Hawking ...
A. D. Sakharov +20 more
core +2 more sources
Advanced Engineering Materials, Volume 27, Issue 6, March 2025.ErB4 and NdB4 nanostructured powders are produced by mechanochemical synthesis. 5 h mechanical alloying and 4 M HCl acid leaching are used in the production. ErB4 and NdB4 powders exhibit maximum magnetization of 0.4726 emu g−1 accompanied with an antiferromagnetic‐to‐paramagnetic phase transition at about TN = 18 K and 0.132 emu g−1 with a maximum at ...
Burçak Boztemur +5 more
wiley +1 more source
A thermodynamically consistent kinetic framework for binary nucleation [PDF]
, 2007 The traditional theory for binary homogeneous nucleation follows the classical derivation of the nucleation rate in the supposition of a hypothetical constrained-equilibrium distribution in the calculation of the cluster evaporation rate.
Flagan, Richard C.
core +1 more source
GeoPS: An interactive visual computing tool for thermodynamic modelling of phase equilibria
Journal of Metamorphic Geology, 2021 The availability of thermodynamic data for geologically relevant phases has made practical the calculation of stable phase relations throughout the mantle and crust of terrestrial planets.
Hua Xiang, J. Connolly
semanticscholar +1 more source
Advanced Engineering Materials, Volume 27, Issue 6, March 2025.The stability criteria affecting the formation of high‐entropy alloys, particularly focusing in supersaturated solid solutions produced by mechanical alloying, are analyzed. Criteria based on Hume–Rothery rules are distinguished from those derived from thermodynamic relations. The formers are generally applicable to mechanically alloyed samples.
Javier S. Blázquez +5 more
wiley +1 more source
Reverse design of nickel-based superalloys based on thermodynamic calculation and machine learning
Cailiao gongchengThe combination of thermodynamic calculation and machine learning was used to reverse design nickel-based superalloys for thermodynamic performance requirements.
ZHU Yaliang +3 more
doaj +1 more source