相关论文: A phenomenological model for interstitial hydrogen…
We have theoretically studied the uptake of a non-uniformly charged biomolecule, suitable to represent a globular protein or a drug, by a charged hydrogel carrier in the presence of a 1:1 electrolyte. Based on the analysis of a physical…
We present here a method to estimate physical parameters of novae systems using an extensive grid of photoionization models for novae. We use the photoionization code CLOUDY to construct grid of models covering a wide range of different…
In this paper, we present a detailed numerical implementation of the multicomponent potential theory of adsorption which is among the most accurate gas mixtures adsorption models. The implementation uses the NIST Refprop database to…
The Lithium-Boron Reactive Hydride Composite System (Li-RHC) (2 LiH + MgB$_{2}$ / 2 LiBH$_{4}$ + MgH$_{2}$) is a high-temperature hydrogen storage material suitable for energy storage applications. Herein, a comprehensive gas-solid kinetic…
We explored the composition dependence of a rather comprehensive set of properties of liquid water-ethanol mixtures by using the isobaric-isothermal molecular dynamics computer simulations. The united atom non-polarizable model from the…
We investigate the dependence of QSO Lyman-alpha absorption features on the temperature of the absorbing gas and on the amplitude of the underlying dark matter fluctuations. We use high-resolution hydrodynamic simulations in cold dark…
Temperature-sensitive hydrogels based on polymers such as poly(N-isopropylacrylamide) (PNIPAM) undergo a volume phase transition in response to changes in temperature. During this transition, distinct changes in both thermal and mechanical…
We present two methods for computing the dynamic structure factor for warm dense hydrogen without invoking either the Born-Oppenheimer approximation or the Chihara decomposition, by employing a wave-packet description that resolves the…
We formulate theoretical modeling approaches and develop practical computational simulation methods for investigating the non-equilibrium statistical mechanics of fluid interfaces with passive and active immersed particles. Our approaches…
All far ultraviolet observations of HD209458 tend to support a scenario in which the inflated hydrogen atmosphere of its planetary companion strongly absorbs the stellar \lya flux during transit. However, it was not clear how the transit…
We devise a theory of adsorption of low-energy atoms on suspended graphene membranes maintained at 10 K based on a model of atom-acoustic phonon interactions. Our primary technique includes a non-perturbative method which treats the…
The role of strong absorption of particles in intermidiate and final states has been considered. The range of applicability of phenomenological model of absorption has been studied. This model is nonuniversal. Its applicability depends on…
The interacting boson model with configuration mixing, with parameters derived from the self-consistent mean-field calculation employing the microscopic Gogny energy density functional, is applied to the systematic analysis of the low-lying…
Understanding the phase behaviour of pheromones and other messaging molecules remains a significant and largely unexplored challenge, even though it plays a central role in chemical communication. Here, we present all-atom molecular…
The results from ten statistical multifragmentation models have been compared with each other using selected experimental observables. Even though details in any single observable may differ, the general trends among models are similar.…
Following Bi & Davidsen (1997), we perform one dimensional semi analytic simulations along the lines of sight to model the intergalactic medium (IGM). Since this procedure is computationally efficient in probing the parameter space -- and…
Studies of quantum thermal effects on molecular excitation dynamics have often relied on oversimplified models, such as energy eigenstates or low-dimensional potentials, which fail to capture the complexity of real chemical systems. In…
A continuum model for calculating the time-dependent hydrogen pickup fractions in various Zirconium alloys under steam and pressured water oxidation has been developed in this study. Using only one fitting parameter, the effective hydrogen…
Absorption imaging and spectroscopy can probe the dynamics of an ultracold neutral plasma during the first few microseconds after its creation. Quantitative analysis of the data, however, is complicated by the inhomogeneous density…
We present a detailed study of an estimator of the HI column density, based on a combination of HI 21cm absorption and HI 21cm emission spectroscopy. This "isothermal" estimate is given by $N_{\rm HI,ISO} = 1.823 \times 10^{18} \int \left[…