The microscopic polymer reference interaction site model theory is generalized and applied to study intermolecular pair correlation functions and collective structure factors of dense solutions and melts of spherical nanoparticles carrying a single tethered chain. The complex interplay of entropy (translational, conformational, and packing) and enthalpy (particle-particle attraction) leads to d...

We consider the variational problem of maximizing the packing density on some finite dimensional set of almost periodic sphere packings. We show that the maximal density on this manifold is obtained by periodic packings. Since the density is a continuous, but a nondifferentiable function on this manifold, the variational problem is related to number theoretical questions. Every sphere packing i...

Effective lithium-ion battery module modeling has become a bottleneck for full-size electric vehicle crash safety numerical simulation. Modeling every single cell in detail would be costly. However, computational accuracy could be lost if the module is modeled by using a simple bulk material or rigid body. To solve this critical engineering problem, a general method to establish a computational...

We introduce an algorithmic framework for tuning the spatial density of disks in a maximal random packing, without changing the sizing function or radii of disks. Starting from any maximal random packing such as a Maximal Poisson-disk Sampling (MPS), we iteratively relocate, inject (add), or eject (remove) disks, using a set of three successively more-aggressive local operations. We may achieve...

objective: to evaluate the efficacy of modified perihepatic packing (mphp) in reducing the rate of re-bleeding rate after packing removal. methods: this was an experimental study being performed in shiraz animal laboratory. high grade liver parenchymal injury was induced in 30 transgenic australian rabbits which were then divided into two groups. group a (control) included 14 and group b (exper...

Submitted for the MAR10 Meeting of The American Physical Society Packing structure of cyclically sheared dense granular spheres ANDREEA PANAITESCU, ARSHAD KUDROLLI, Clark University — We characterize the structure of densely packed frictional granular spheres cyclically sheared between parallel walls under constant pressure boundary conditions with a fluorescent refractive index matched liquid ...

In terms of the packing fraction the total number of non-native contacts is MA = Mη(1 − Q) , (A.1) where η is the packing fraction of non-native polymer surrounding the dense (η = 1) native core. The mean-field configurational entropy of a self-avoiding polymer of n links with packing fraction η is given by [62, 63] S SA c (η) n = ln ν e − 1 − η η ln (1 − η) (A.2) The conformational entropy of ...

We numerically investigate the competition between phase separation and dynamical arrest in a colloidal system interacting via a short-ranged attractive potential. Equilibrium fluid configurations are quenched at two different temperatures below the critical temperature and followed during their time evolution. At the lowest studied T, the phase-separation process is interrupted by the formatio...

The membrane domain of OmpA consists of an eight-stranded all-next-neighbor antiparallel beta-barrel with short turns at the periplasmic barrel end and long flexible loops at the external end. The structure analysis has been extended from medium resolution to 1. 65 A (1 A=0.1 nm), and the molecular model has been refined anisotropically to show oriented mobilities of the structural elements. Th...

Dicaesium hexa-nitratothorate(IV), Cs2[Th(NO3)6], was synthesized in the form of colourless crystals by reaction of thorium nitrate and caesium nitrate in aqueous solution. The Th atom is located on an inversion centre and is coordinated by six chelating nitrate anions. The resulting ThO12 coordination polyhedron is best described as a slightly distorted icosa-hedron. The Cs atom also has a coo...