相关论文: An approximate cooperativity analysis by DSC of ph…

The superfluid to normal fluid transition of dipolar bosons in two dimensions is studied throughout the whole density range using path integral Monte Carlo simulations and summarized in the phase diagram. While at low densities, we find…

The shapes of cooperatively rearranging regions in glassy liquids change from being compact at low temperatures to fractal or ``stringy'' as the dynamical crossover temperature from activated to collisional transport is approached from…

We have studied the electrostatic screening effect of NaCl solutions on the interactions between anionic lipid bilayers in the fluid lamellar phase using a Poisson-Boltzmann based mean-field approach with constant charge and constant…

We have performed Molecular Dynamics simulations of ectoine, hydroxyectoine and urea in explicit solvent. Special attention has been spent on the local surrounding structure of water molecules. Our results indicate that ectoine and…

We study the distribution of colloidal particles confined in drying spherical droplets using both dynamic density functional theory (DDFT) and particle-based simulations. In particular, we focus on the advection-dominated regime typical of…

Halide perovskite quantum dots exhibit cooperative optical phenomena that are absent in conventional semiconductor nanocrystals, including exciton superradiance, superabsorption, and biexciton superradiance within individual dots. Here we…

Kohn-Sham density functional theory (DFT) has become established as an indispensable tool for investigating aqueous systems of all kinds, including those important in chemistry, surface science, biology and the earth sciences. Nevertheless,…

Dissipative particle dynamics (DPD) is a relatively new technique which has proved successful in the simulation of complex fluids. We caution that for the equilibrium achieved by the DPD simulation of a simple fluid the temperature depends…

We consider the Bose-Einstein transition of homogeneous weakly interacting spin-0 particles based on the normal-state Phi-derivable approximation. Self-consistent calculations of Green's function and the chemical potential with several…

Finite size effects on the cooperative thermal denaturation of proteins are considered. A dimensionless measure of cooperativity, Omega, scales as N^zeta, where N is the number of amino acids. Surprisingly, we find that zeta is universal…

Clay-rich soils and sediments are key components of near-surface systems, influencing water retention, ion exchange, and structural stability. Their complex dielectric behavior under moist conditions arises from electrostatic interactions…

A Monte Carlo simulation is performed in a cubic lattice of interacting identical Stoner-Woldfarth nanoparticles. The model system is a randomly-anisotropic Heisenberg spin system with a small anisotropy-to-exchange ratio D/J = 3.5. The dc…

Many ionic surfactants, such as sodium dodecyl sulphate (SDS) crystallize out of solution if the temperature falls below the crystallization boundary. The crystallization temperature is impacted by solution properties, and can be decreased…

Atomistic molecular dynamics simulations have reached a degree of maturity that makes it possible to investigate the lipid polymorphism of model bilayers over a wide range of temperatures. However if both the fluid $L_{\alpha}$ and tilted…

In this work we consider the semi-batch process of precipitation of calcium carbonate solids from a solution containing calcium ions by adjusting the pH of the solution. The change in pH is induced either by the addition of alkaline…

The electrical, magnetic, thermal and optical characteristics of Gallium (Ga) doped silicene are investigated using density functional theory (DFT). The effect of doping is studied by tuning dopant concentrations as well as examining varied…

In this paper we investigate the effect of Cd doping at ultra-low concentrations in SnO$_2$ both experimentally, by measuring the temperature dependence of the electric quadrupole hyperfine interactions with time-differential perturbed…

Boron subphthalocyanine chloride is an electron donor material used in small molecule organic photovoltaics with an unusually large molecular dipole moment. Using first-principles calculations, we investigate enhancing the electronic and…

The Optimized Perturbation Theory (OPT) method, at finite temperature and finite chemical potential, is applied to the field theory model for polyacetylene. The critical dopant concentration in trans-polyacetylene is evaluated and compared…

Knowledge Distillation is a commonly used Deep Neural Network (DNN) compression method, which often maintains overall generalization performance. However, we show that even for balanced image classification datasets, such as CIFAR-100, Tiny…