نتایج جستجو برای: molecular reorientation

تعداد نتایج: 638694  

2015
Yang Xu Terry Regier Nora S. Newcombe

Humans use a variety of strategies to reorient in space. There are diverging views on whether spatial reorientation relies on an encapsulated geometric module, an associative mechanism or an adaptive combination of different cues. We test these proposals with a computational model that predicts human behavior in reorientation. By analyzing existing data from multiple sources, we show evidence f...

2002

Computer molecular dynamics simulations of a two-dimensional B = 13 bicrystai, interact@ through a Cennard-Janes potential, have been performed. Grain boundary phase equilibria were studied through the temperature dependence of the bicrystal enthalpy. Two phenomena were studied: a transition to a liquid-like layer at approximately 80% of the bulk melting point, and a reorientation of the grain ...

Journal: :Journal of computational chemistry 2014
Maarten G. Wolf Gerrit Groenhof

We present Hydrogen Dynamics (HYDYN), a method that allows explicit proton transfer in classical force field molecular dynamics simulations at thermodynamic equilibrium. HYDYN reproduces the characteristic properties of the excess proton in water, from the special pair dance, to the continuous fluctuation between the limiting Eigen and Zundel complexes, and the water reorientation beyond the fi...

2016
P. Deymier G. Kalonji

Methods are discussed for the explicit calculation of the excess thermodynamic properties of grain boundaries using molecular dynamics simulations in the NPT ensemble. Specific attention is focussed on techniques for the calculation of excess free energies. Results on the variation of interfacial free energy with misorientation are reported. In addition, observations of phase transitions among ...

Journal: :International journal of advanced research 2022

In this review article, we have analysed the overview of dielectric parameters liquid crystals (LCs) such as nematic, smectic with function frequency and temperature.LCs are isotropic anisotropic nature. When anisotropy was affected by cause director reorientation in an applied electric field, deepening our understanding response has been a leading theme development LC science. Herein, studied ...

Journal: :Seibutsu Butsuri 2021

Swimming bacteria display distinct motile patterns to explore their favorable environments, driven by bacterial flagella. A typical example of the flagellar motility is run-tumble swimming in Escherichia coli: CCW rotation a bundle propels cell forward. The undergoes reorientation (tumbling) upon switching from CW. It has been characterized using chemotactic mutants for studies; however, origin...

Journal: :Applied sciences 2021

We experimentally demonstrate that the plasmonic heat delivered by a single layer of homogeneously distributed gold nanoparticles (AuNPs), immobilized on glass substrate, can be optically tuned taking advantage properties an organic based azobenzene and nematic liquid crystal (NLC) molecules. The effect, which exploits dependence NLC refractive index value molecular director orientation, is rea...

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