A new solvation model that combines discrete and continuum descriptions of the solvent has been developed. The discrete solvent molecules are represented by effective fragment potentials (EFP), while the continuum is represented by the Onsager model. This (EFP+Onsager) model has been applied to the relative stabilities of the neutral and zwitterionic forms of glycine. Other supermolecule-contin...

The effect of mannitol upon glomerular ultrafiltration was examined in hydropenic Munich-Wistar rats. Superficial nephron filtration rate (sngfr) rose from 32.0+/-0.9 nl/min/g kidney wt to 42.0+/-1.6 (P < 0.001) in eight rats. Hydrostatic pressure gradients acting across the glomerular capillary (DeltaP) were measured in glomerular capillaries and Bowman's space with a servo-nulling device, sys...

A correlation function of the XY spin chain is studied at zero temperature. This is called the Emptiness Formation Probability (EFP) and is expressed by the Fredholm determinant in the thermodynamic limit. We formulate the associated Riemann–Hilbert problem and solve it exactly. The EFP is shown to decay in Gaussian. In this letter we study the Riemann–Hilbert problem associated with a correlat...

The ecosystems of Qinghai-Tibetan Plateau (QTP) are very sensitive to climate change because their unique structure and function. However, little attention has been paid variations in cold non-growing season. In this study, based on daily mean temperature from 63 meteorological stations throughout the QTP during period 1961 ? 2018, spatial temporal freezing (FP) were investigated. FP was define...

The problem of the limit shape of large alternating sign matrices (ASMs) is addressed by studying the emptiness formation probability (EFP) in the domain-wall six-vertex model. Assuming that the limit shape arises in correspondence to the 'condensation' of almost all solutions of the saddle-point equations for certain multiple integral representation for EFP, the limit shape of large ASMs is fo...

This paper presents an Eulerian shock physics analysis of the formation of a Tantalum explosively-formed projectile (EFP). Recent modi cations to the Bammann-Chiesa-Johnson (BCJ) thermo-visco-poro-plasticity model are brie y described. Speci cally, a general pressure and porositydependent yield function is incorporated within the BCJ model in order to be able to consider various representations...

This paper presents numerical analysis result of forming characteristics of Ta explosively formed penetrator (EFP) according to various material models and their values. Dynamic material properties of Ta were measured with static tensile testing machine and Hopkinson pressure bar tests. We used AUTODYN hydrodynamic code to simulate these phenomena. We used three material models, such as Von-Mis...

Loss networks have long been used to model various types of telecommunication network , including circuit-switched networks. Such networks often use admission controls, such as trunk reservation, to optimize revenue or stabilize the behaviour of the network. Unfortunately, an exact analysis of such networks is not usually possible, and reduced-load approximations such as the Erlang Fixed Point ...

Solvent effects on a potential energy surface crossing are investigated by optimizing a conical intersection (CI) in solution. To this end, the analytic energy gradient has been derived and implemented for the collinear spin-flip density functional theory (SFDFT) combined with the effective fragment potential (EFP) solvent model. The new method is applied to the azomethane-water cluster and the...

The effective fragment potential (EFP) method, is a discrete method for the treatment of solvent effects, originally formulated using Hartree–Fock (HF) theory. Here, a density functional theory(DFT) based implementation of the EFP method is presented for water as a solvent. In developing the DFT based EFP method for water, all molecular properties (multipole moments, polarizabilitytensors, scre...