نتایج جستجو برای: structure dynamics

تعداد نتایج: 1943716  

پایان نامه :دانشگاه تربیت معلم - تهران - دانشکده علوم 1393

in this thesis, structural, electronical, and optical properties of inverse pervskite(ca3pbo) in cubic phase have been investigated.the calculation have been done based on density functional theory and according to generalized gradiant approximate (gga) as correlating potential. in order to calculate the configurations, implementing in the wien2k code have been used from 2013 version. first of ...

Journal: :applied biotechnology reports 0
raghunath satpathy v. badireenath konkimalla jagnyeswar ratha

in this report, we describe a procedure for in-silico design of a novel haloalkane dehalogenase protein that exhibits luciferase property which can be potentially used in biosensor applications. from a pdb blast search, the selected haloalkane dehalogenase (pdb code: 1ede) had a close structural homology with a lucifearse (pdb code: 2psj chain a) sharing an identity of 33%. initially, the amino...

Journal: :physical chemistry research 2013
leila separdar saeid davatolhagh

molecular dynamics simulation has been performed to analyze the effect of the presence of gold nanoparticle on dynamics of kob-anderson binary lennard-jones (blj) mixture upon supercooling within the framework of the mode coupling theory of the dynamic glass transition. the presence of gold nanoparticle has a direct effect on the liquid structure and causes the peaks of the radial distribution ...

Journal: :journal of artificial intelligence in electrical engineering 0
saheleh khodabakhshi 1department of electrical engineering. ahar branch, islamic azad university, ahar, iran mahdi baradaran-nia department of control engineering, faculty of electrical and computer engineering, university of tabriz, , tabriz, iran

natural hazards such as earthquakes have threatened the life of human beings during the history.as a consequence, the vibration mitigation of structures has caught great importance. activecontrol of structures is one of the rapidly emerging areas in the concept of structural control. thispaper presents a control method to deal with this subject when the dynamics of the structure ishysteretic an...

2009
Erzsébet Ravasz Regan

3 Structural Properties of Complex Networks 7 3.1 Simple Graphs . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 7 3.1.1 Degree Distributon . . . . . . . . . . . . . . . . . . . . . . . . . . 7 3.1.2 Paths on Networks, Small Worlds and Betweenness . . . . . . . . 10 3.1.3 Clustering and Network Motifs . . . . . . . . . . . . . . . . . . . 11 3.1.4 Degree Correlations and Mixing P...

2017
NATASHA KAMERLIN Jan Forsman

Kamerlin, N. 2017. Computer Simulations of Polymer Gels. Structure, Dynamics, and Deformation. Digital Comprehensive Summaries of Uppsala Dissertations from the Faculty of Science and Technology 1596. 69 pp. Uppsala: Acta Universitatis Upsaliensis. ISBN 978-91-513-0144-0. This thesis presents the results of computer simulation studies of the structure, dynamics, and deformation of cross-linked ...

2013
Paolo G. Radaelli

3 Wallpaper groups 8 3.1 A few new concepts for Wallpaper Groups . . . . . . . . . . . . . . . . . . . . . . . 8 3.2 Lattices and the “translation set” . . . . . . . . . . . . . . . . . . . . . . . . . . . . 9 3.3 Bravais lattices in 2D . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 9 3.3.1 Oblique system . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . ....

2006
Zinovi Rabinovich Jeffrey S. Rosenschein

In this paper we introduce a novel approach to continual planning and control, called Dynamics Based Control (DBC). The approach is similar in spirit to the Actor-Critic [6] approach to learning and estimation-based differential regulators of classical control theory [13]. However, DBC is not a learning algorithm, nor can it be subsumed within models of standard control theory. We provide a gen...

پایان نامه :وزارت علوم، تحقیقات و فناوری - دانشگاه تربیت مدرس - دانشکده کشاورزی 1392

سازه های دریایی به دلیل اهمیت راهبردی حمل ونقل دریایی از جمله کلیدی ترین بناها، در مجموعه ساخت وساز کشوری می باشند. بشر با احداث بنادر و سازه های ساحلی در حقیقت باعث تغییر در الگوی جریانات ساحلی و به تبع آن تغییر در الگوی رسوب گذاری می شود. به واسطه جابجایی رسوبات ساحلی، مسئله رسوب گذاری سواحل و فرسایش در سواحل مطرح می گردد که هر یک از این پدیده ها، کاربری تأسیسات و سازه های ساخته شده در دریا ر...

داودی, جمال, مهری, لیلا,

This research aims to study the solidification processes of Ag-X%Au alloy by molecular dynamics simulation technique at the NPT ensemble. The quantum Sutton-Chen many-body interatomic potential is used to calculate the energy and forces experienced by the particles. The coupled differential equations of motion of the particles are solved using Velocity Verlet algorithm. The solidification tempe...

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