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Now showing items 11-20 of 27
All Molecular Surfaces are Equal: Demanding Invariance of Predictions in Linear Single-Variable Models
(2016)
The molecular surface has been suggested to be a region of the molecule where information of non-covalent intermolecular interactions is present. Many workers have pursued this idea by constructing models based on statistical ...
Using the Power Balance Model to Simulate Cross-Country Skiing on Varying Terrain
(2014)
The current study adapts the power balance model to simulate cross-country skiing on varying terrain. We assumed that the skier’s locomotive power at a self-chosen pace is a function of speed, which is impacted by friction, ...
Experimental and numerical study of the fragmentation of expanding warhead casings by using different numerical codes and solution techniques
(2014)
There has been increasing interest in numerical simulations of fragmentation of expanding warheads in 3D. Accordingly there is a pressure on developers of leading commercial codes, such as LS-DYNA, AUTODYN and IMPETUS Afea, ...
A Study of the Detonation Properties, Propellant Impulses, Impact Sensitivities and Synthesis of Nitrated ANTA and NTO Derivatives
(2016)
Nitrated derivatives of 5-amino-3-nitro-1,2,4-triazole (ANTA)
and 3-nitro-1,2,4-triazol-5-one (NTO) were theoretically characterized with respect to their performance as high explosives and rocket propellants. The detonation ...
Study of thermal instability of HMX crystalline polymorphs with and without molecular vacancies using reactive force field molecular dynamics
(2016)
The sensitivity of energetic materials can be identified by heat, friction, impact, shock, electrostatic charge, etc. A complexity of various factors may influence the sensitivity and among them are the crystal structure ...
A computational study of density of some high energy molecules
(2016)
The detonation pressure depends quadratically on the loading density of the explosives. A precise estimate of the density is thus crucial to decide if a novel energetic material is worth pursuing. In this work we investigate ...
A Critical Investigation of Proposed Electrostatic Corrections to Quantum Mechanical Volumes: The Importance of Variation and the Irrelevance of Imbalance
(2016)
The crystal density of neutral and ionic molecular crystals is remarkably well approximated by the enclosed volume of molecular surfaces, where these surfaces are defined as regions of constant and small electron density. ...
Stochastic Theories and Deterministic Differential Equations
(2010-05)
We discuss the concept of “hydrodynamic” stochastic theory, which is not based on the traditional Markovian concept. A Wigner function developed for friction is used for the study of operators in quantum physics, and for ...
The kinetics of lactate production and removal during whole-body exercise
(2012-03-13)
Background
Based on a literature review, the current study aimed to construct mathematical models of lactate production and removal in both muscles and blood during steady state and at varying intensities during whole-body ...
On the Kinetics of Anaerobic Power
(2012)
Background
This study investigated two different mathematical models for the kinetics of anaerobic power. Model 1 assumes that the work power is linear with the work rate, while Model 2 assumes a linear relationship ...