Keywords: انرژی آزاد Helmholtz; Helmholtz free energy; Phospholipid membrane; Small-molecule; Molecular dynamics;
مقالات ISI انرژی آزاد Helmholtz (ترجمه نشده)
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Keywords: انرژی آزاد Helmholtz; Thermodynamic integration; Harmonic approximation; Molecular dynamics; Quantum mechanics; Helmholtz free energy; Argon;
Keywords: انرژی آزاد Helmholtz; Helmholtz free energy; Vibrational properties; Anharmonicity; TDEP; SCAILD; Thermodynamic integration; VACF;
Keywords: انرژی آزاد Helmholtz; Ising model; Ab-initio molecular dynamics; Partition function; Helmholtz free energy; Magnetoelastic response;
Keywords: انرژی آزاد Helmholtz; Quantum dot; Harmonic e-e interaction; Heat capacity; Helmholtz free energy; Entropy;
Keywords: انرژی آزاد Helmholtz; VTN flash; Helmholtz free energy; Unconstrained minimization; Newton method; Equilibrium constant; Convergence; Number of iterations;
Keywords: انرژی آزاد Helmholtz; Quantum dot; Helmholtz free energy; Heat capacity;
Keywords: انرژی آزاد Helmholtz; Isothermal compositional grading; Helmholtz free energy; Convex splitting method; Semi-implicit scheme;
Keywords: انرژی آزاد Helmholtz; EAM; GB segregation; Excess volume; Helmholtz free energy;
Keywords: انرژی آزاد Helmholtz; Helmholtz free energy; Lattice cell model; Equation of state; Entropic repulsion; vle; Excluded volume theory; Radial distribution function
Keywords: انرژی آزاد Helmholtz; Continuum theory; Interatomic potential; Helmholtz free energy; Local harmonic approximation; Finite temperature;
Keywords: انرژی آزاد Helmholtz; Urban ecology; Built environment; Thermodynamics; Scaling; Spatial distribution; Helmholtz free energy
Keywords: انرژی آزاد Helmholtz; Excel; Helmholtz free energy; Equations of state; Pressure; Volume; Temperature
An efficient kinetic Monte Carlo scheme for computing Helmholtz free energy and entropy in bulk fluids and adsorption systems
Keywords: انرژی آزاد Helmholtz; Bulk fluids; Thermodynamics; Adsorption; Helmholtz free energy; Entropy; Monte Carlo simulation; Kinetic Monte Carlo simulation;
Helmholtz free energy equation of state for propane and R134a binary mixture
Keywords: انرژی آزاد Helmholtz; Helmholtz free energy; Equation of state; Binary mixture; R290; R134a; Refrigerant; Ãmulsion de paraffine; Corrélation; Transfert de chaleur; Ãcoulement laminaire; Coefficient de transfert de chaleur; Propriétés thermiques; Puissance de chauffage;
Consistent phase-change modeling for CO2-based heat mining operation
Keywords: انرژی آزاد Helmholtz; Finite element energy simulator; Helmholtz free energy; Phase-change; Joule-Thomson effect; Volume translated Peng-Robinson; Clausius-Clapeyron;
Electronic and thermodynamic properties of α-Pu2O3
Keywords: انرژی آزاد Helmholtz; α-Pu2O3; Phonon dispersion curve; Helmholtz free energy; Reaction energy; First-principles calculation
On the impact of using volume as an independent variable for the solution of P-T fluid-phase equilibrium with equations of state
Keywords: انرژی آزاد Helmholtz; Fluid-phase equilibria; Phase stability; Helmholtz free energy; Gibbs free energy; SAFT-VR equation of state; Peng-Robinson equation of state;
Models of free energy in lattice fluids—An excluded volume theory
Keywords: انرژی آزاد Helmholtz; Helmholtz free energy; Equation of state; Lattice cell model; Vapor–liquid equilibrium; Free volume
An equation of state for the thermodynamic properties of 1,1,1,2,3,3-hexafluoropropane (R236ea)
Keywords: انرژی آزاد Helmholtz; 1,1,1,2,3,3-Hexafluoropropane; Equation of state; Helmholtz free energy
Canonical equilibrium distribution derived from Helmholtz potential
Keywords: انرژی آزاد Helmholtz; Helmholtz free energy; Canonical equilibrium distribution; Tsallis entropy;
A homogeneous non-equilibrium two-phase critical flow model
Keywords: انرژی آزاد Helmholtz; Cryogenic fluids; Critical flows; Critical flow model; Helmholtz free energy
An equation of state for the thermodynamic properties of 1,1,1,3,3,3-hexafluoropropane (HFC-236fa)
Keywords: انرژی آزاد Helmholtz; 1,1,1,3,3,3-Hexafluoropropane; Equation of state; Helmholtz free energy; HFC-236fa
Investigation of mixture stability at given volume, temperature, and number of moles
Keywords: انرژی آزاد Helmholtz; Two-phase stability; Constant volume stability; VT-stability; Tangent plane distance function; Helmholtz free energy; Volume function
Numerical simulation for finite deformation of single-walled carbon nanotubes at finite temperature using temperature-related higher order Cauchy-Born rule based quasi-continuum model
Keywords: انرژی آزاد Helmholtz; Single-walled carbon nanotubes; Temperature-related higher order Cauchy-Born rule; Quasi-continuum constitutive model; Helmholtz free energy; Meshless method;
Fiber distributed hyperelastic modeling of biological tissues
Keywords: انرژی آزاد Helmholtz; Fiber reinforced biological tissue; Helmholtz free energy; von Mises distribution; Anisotropy; Generalized structure tensors
The HELD algorithm for multicomponent, multiphase equilibrium calculations with generic equations of state
Keywords: انرژی آزاد Helmholtz; Phase equilibrium; Phase stability; Helmholtz free energy; Global optimisation; Equations of state; Statistical associating fluid theory (SAFT)
Straightforward calculation of the WCA entropy and internal energy for liquid metals
Keywords: انرژی آزاد Helmholtz; Fluid; Liquid metal; Thermodynamic perturbation theory; Weeks–Chandler–Andersen method; Helmholtz free energy; Entropy; Internal energy
Micro-cracks informed damage models for brittle solids
Keywords: انرژی آزاد Helmholtz; Multi-scale; Damage model; Micro-crack; Homogenization; Helmholtz free energy
Adsorption of molecular gases on porous materials in the SAFT-VR approximation
Keywords: انرژی آزاد Helmholtz; Adsorption; Statistical associating fluid; Helmholtz free energy; Porous material
A duality-based optimisation approach for the reliable solution of (P, T) phase equilibrium in volume-composition space
Keywords: انرژی آزاد Helmholtz; Phase equilibrium; Phase stability; Helmholtz free energy; Global optimisation; Equations of state; Augmented van der Waals equation; Statistical associating fluid theory (SAFT)
Fractal effect and anisotropic constitutive model for concrete
Keywords: انرژی آزاد Helmholtz; Anisotropic damage; Helmholtz free energy; Evolution law; Fractal dimension
Optimum bias for fast-switching free energy calculations
Keywords: انرژی آزاد Helmholtz; Jarzynski equation; Fast switching; Biased sampling; Helmholtz free energy
A multiscale, finite deformation formulation for surface stress effects on the coupled thermomechanical behavior of nanomaterials
Keywords: انرژی آزاد Helmholtz; Surface Cauchy–Born; Thermomechanical coupling; Helmholtz free energy; Local harmonic approximation; Surface stress
Unsupervised learning with stochastic gradient
Keywords: انرژی آزاد Helmholtz; Stochastic optimization; Cauchy annealing; Blind source separation; Helmholtz free energy;