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A multiphysics modeling approach for heat conduction in metal hydride powders is presented, including particle shape distribution, size distribution, granular packing structure, and effective thermal conductivity. A statistical geometric…
Thermodynamic properties of liquid water as well as hexagonal (Ih) and cubic (Ic) ice are predicted based on density functional theory at the hybrid-functional level, rigorously taking into account quantum nuclear motion, anharmonic…
A mixture of solvent particles with short-range, directional interactions and solute particles with short-range, isotropic interactions that can bond multiple times is of fundamental interest in understanding liquids and colloidal mixtures.…
Integral membrane proteins deform the surrounding bilayer creating long-ranged forces that influence distant proteins. These forces can be attractive or repulsive, depending on the proteins' shape, height, contact angle with the bilayer, as…
The hydrodynamic equations for a model of a confined quasi-two-dimensional gas of smooth inelastic hard spheres are derived from the Boltzmann equation for the model, using a generalization of the Chapman-Enskog method. The heat and…
The size and shape of a large variety of polymeric particles, including biological cells, star polymers, dendrimes, and microgels, depend on the applied stresses as the particles are extremely soft. In high-density suspensions these…
Thermophoresis is a transport phenomenon induced by a temperature gradient. Very small objects dispersed in a fluid medium and in a temperature gradient present a non homogeneous steady density. Analysing this phenomenon within the…
The efficiency of soft particles to stabilize emulsions is examined by measuring their desorption free energy, i.e., the mechanical work required to detach the particle from a fluid interface. Here, we consider rubber-like elastic as well…
A polyatomic ideal gas with weak interaction between the translational and internal modes is considered. For the purpose of describing the behavior of such a gas, a Boltzmann equation is proposed in the form that the collision integral is a…
The specific heat and susceptibilities for the two- and one-dimensional spin--orbital models are calculated in the framework of a spherically symmetric self-consistent approach at different temperatures and relations between the parameters…
Thermodynamic properties of matter are conveniently expressed as functional relations between variables known as equations of state. Here we experimentally determine the compressibility, density and pressure equations of state for an…
We construct a Hamiltonian for a single domain protein where the contact enthalpy and the chain entropy decrease linearly with the number of native contacts. The hydration effect upon protein unfolding is included by modeling water as ideal…
The Kittel--Shore Hamiltonian characterizes $N$ spins with identical long-range interactions, and the $\mathfrak{su}(2)$ coalgebra has been proven to be a symmetry of this model, which can be exactly solved. By using quantum groups and, in…
Relations between the thermodynamics and dynamics of supercooled liquids approaching a glass transition have been proposed over many years. The potential energy surface of model liquids has been increasingly studied since it provides a…
We review the available experimental information on the thermodynamic properties of supercooled ordinary and heavy water and demonstrate the possibility of modeling these thermodynamic properties on a theoretical basis. We show that by…
Quantum systems of indistinguishable particles are commonly described using the formalism of second quantisation, which relies on the assumption that any admissible quantum state must be either symmetric or anti-symmetric under particle…
The determination of the texture of the order parameter is important for understanding many experiments in superfluid 3He. In addition to reviewing the theory of textures in superfluid 3He-B we give several new results, in particular on the…
We study a class of one-dimensional interacting particle systems with random boundaries as a microscopic model for Stefan's melting and freezing problem. We prove that under diffusive rescaling these particle systems exhibit a hydrodynamic…
We consider finite sized atomic systems with varying number of particles which have dipolar interactions among them and also under the collective driving and dissipative effect of thermal photon environment. Focusing on the simple case of…
Using the framework of Wertheim's thermodynamic perturbation theory we develop the first density functional theory which accounts for intramolecular association in chain molecules. To test the theory new Monte Carlo simulations are…