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Asymmetric self-diffusion with orientation-dependence of water molecule in finite timescale
Self-diffusion of water has been investigated by molecular dynamics simulations. It was found that the preference of the direction in self-diffusion...
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Non-canonical distribution and non-equilibrium transport beyond weak system-bath coupling regime: A polaron transformation approach
The concept of polaron, emerged from condense matter physics, describes the dynamical interaction of moving particle with its surrounding bosonic...
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Effect of solvent on directional drift in Brownian motion of particle/molecule with broken symmetry
The directional drifting of particles/molecules with broken symmetry has received increasing attention. Through molecular dynamics simulations, we...
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Asymmetrical free diffusion with orientation-dependence of molecules in finite timescales
Using molecular dynamics simulations, we show that free diffusion of a nanoscale particle (molecule) with asymmetric structure critically depends on...
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Electrode polarization and interface effects in liquid crystal systems with mobile ions: development of a model of bipolar diffusion
The influence of mobile ions on the results of impedance spectroscopy (dielectric spectroscopy) measurements performed on a liquid crystal cell using...
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Asymmetric transportation induced by thermal noise at the nanoscale
Based on a simple model, we theoretically show that asymmetric transportation is possible in nanoscale systems experiencing thermal noise without the...
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Thermal diffusion of hydrogen in zirconium with allowance for thermal stresses
The thermal diffusion of hydrogen atoms in zirconium is studied with allowance for thermal stresses. As a mathematical model, a steady-state...
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Pressure effects on diffusion in liquid ammonia : A simulation study using a combination of isobaric-isothermal and microcanonical molecular dynamics
The effects of pressure on translational and rotational diffusion in liquid ammonia are investigated by means of molecular dynamics simulations....
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Behavior of an electrolytic cell containing two groups of ions submitted to a step-like external voltage
The transient and equilibrium behaviors of an electrolytic cell containing two groups of ions submitted to an external voltage is considered. The...
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Reversible mass exchange between two multicomponent systems of different temperatures
The concept of reversible work in nonequilibrium systems, which has been used for the derivation of thermal diffusion coefficients, is critically...
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Theoretical studies of mutual diffusivities and surface properties in Cd-Ga liquid alloys
The mutual diffusion coefficients, activation energy for diffusion, surface concentration and surface tension of the liquid Cd-Ga alloys have been...
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Cationic transport mechanism in α-Ag1 − x Cu x I(0 < x < 0.25): Molecular-dynamics simulation
The structural and transport characteristics of an Ag 1 − x Cu x I(0 < x < 0.25) solid solution have been simulated by the molecular-dynamics method....
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Solid-hydroxide protonic conductors: Superionic conductivity, phase transitions, isotopic effect, and self-organized microheterogeneity
New members of the family of inorganic solid-state protonic conductors are synthesized on the basis of KOH, NaOH, and H 2 O. The equimolar eutectics...
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Thermoelectric effect on charged colloids in the Hückel limit
We study the thermophoretic coefficient D T of a charged colloid. The non-uniform electrolyte is characterized in terms of densities and diffusion...
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Single-particle thermal diffusion of charged colloids: Double-layer theory in a temperature gradient
The double-layer contribution to the single-particle thermal diffusion coefficient of charged, spherical colloids with arbitrary double-layer...
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The interdiffusion in melts of tin-lead system of eutectic and near-eutectic composition
The method of gamma-raying of samples by a narrow beam of gamma radiation is used to measure the interdiffusion coefficients in melts of a tin-lead...
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Simulation of ion transport in layered cuprates La2 − x Sr x CuO4 − δ
The processes of oxygen diffusion in La 2 − x Sr x CuO 4 − δ phases have been simulated for the first time by the molecular-dynamics method....
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Phonon density of states in γ-, β-, and α-AgCuS
The ternary superionic conductor AgCuS was studied by means of inelastic neutron scattering at temperatures of 150 to 398 K. The experimental...
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Carbon – Iron – Titanium
This document is part of Volume 11 ‘Ternary Alloy Systems: Phase Diagrams, Crystallographic and Thermodynamic Data’, Subvolume D ‘Iron Systems’, of...
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Influence of isotopic substitution on the diffusion and thermal diffusion coefficient of binary liquids
The mutual mass diffusion coefficient ( D ) and the thermal diffusion coefficient ( D T ) of the liquids acetone, benzene, benzene- d ...