Related papers: Non-equilibrium Structure Affects Ferroelectric Be…
We use grand canonical transition-matrix Monte Carlo and discontinuous molecular dynamics simulations to generate precise thermodynamic and kinetic data for the equilibrium hard-sphere fluid confined between smooth hard walls. These…
The methods of non-equilibrium thermodynamics of systems with an interface have been applied to the study of thermionic emission processes in abrupt semiconductor junctions, including the effects of surface states . Our analysis covers…
For over 70 years, ferroelectric materials have been remaining one of the central research topics for condensed matter physics and material science, the interest driven both by fundamental science and applications. However, ferroelectric…
We calculate the energy of a single fermion interacting resonantly with a Fermi sea of different-species fermions in asymmetric traps, and show that finite particle numbers and the trap geometry impact the phase structure and the critical…
The structures of the liquid surface and the liquid-solid interface of sodium have been characterized with extensive first-principles molecular dynamics simulations. Friedel oscillations in the electronic charge density at the free surface…
We theoretically investigate the role of the dielectric mismatch between materials on the energy levels and recombination energies of a core-shell nanowire. Our results demonstrate that when the dielectric constant of the core material is…
We investigate equilibrium microstructures exhibited by diblock copolymers in confined 3D geometries. We perform Self-Consistent Field Theory (SCFT) simulations using a finite-element based computational framework (Ackerman et al. 2017),…
The results obtained from molecular dynamics simulations of the friction at an interface between polymer melts and weakly attractive crystalline surfaces are reported. We consider a coarse-grained bead-spring model of linear chains with…
Dispersions of immiscible liquids, such as emulsions and polymer blends, are at the core of many industrial applications which makes the understanding of their properties (morphology, stability, etc.) of great interest. A wide range of…
We present a generalized theory for studying phase separation in blends of polymers containing dipoles on their backbone. The theory is used to construct co-existence curves and to study the effects of dipolar interactions on interfacial…
We examine the effects of confinement on the dynamics of premelted films driven by thermomolecular pressure gradients. Our approach is to modify a well-studied setting in which the thermomolecular pressure gradient is driven by a…
The influence of structural constraints on the relaxation dynamics of three polyurea networks with varying degree of crosslinking, has been studied by means of a thorough analysis of broadband dielectric spectroscopy measurements. Two…
Confinement effects on the phase transitions in antiferromagnets are studied as a function of the surface coupling v and the surface field h for bcc(110) films. Unusual topologies for the phase diagram are attained for particular…
The longitudinal response of single semiflexible polymers to sudden changes in externally applied forces is known to be controlled by the propagation and relaxation of backbone tension. Under many experimental circumstances, realized, e.g.,…
We report on a novel and flexible experiment to investigate the non-equilibrium melting behaviour of model crystals made from charged colloidal spheres. In a slit geometry polycrystalline material formed in a low salt region is driven by…
We have constructed the surface phase diagram of the BaTiO$_{3}$(001) surface by employing an evolutionary algorithm for surface structure prediction, where the ferroelectric polarization is included as a degree of freedom. Among over 1000…
Using molecular dynamics simulation, we investigate the effect of confinement on a system that comprises several stiff segmented polymer chains where each chain has similar segments, but length and stiffness of the segments vary among the…
We show the existence of a force induced triple point in an interacting polymer problem that allows two zero-force thermal phase transitions. The phase diagrams for three different models of mutually attracting but self avoiding polymers…
Pressure-induced polarization switching in ferroelectric thin films has emerged as a powerful method for domain patterning, allowing to create predefined domain patterns on free surfaces and under thin conductive top electrodes. However,…
We develop a quantum theory of electron confinement in metal nanofilms. The theory is used to compute the nonlinear response of the film to a static or low-frequency external electric field and to investigate the role of boundary conditions…