A study of the applicability of different types of interatomic potentials to compute elastic properties of metals with molecular dynamics methods; AIP Conference Proceedings; Vol. 1772 : Prospects of Fundamental Sciences Development (PFSD-2016)

A study of the applicability of different types of interatomic potentials to compute elastic properties of metals with molecular dynamics methods; AIP Conference Proceedings; Vol. 1772 : Prospects of Fundamental Sciences Development (PFSD-2016)

Bibliografiske detaljer
Parent link:	AIP Conference Proceedings Vol. 1772 : Prospects of Fundamental Sciences Development (PFSD-2016).— 2016.— [060019, 7 p.]
Hovedforfatter:	Chistyakova N. V. Nadezhda Vladimirovna
Institution som forfatter:	Национальный исследовательский Томский политехнический университет (ТПУ) Физико-технический институт (ФТИ) Кафедра общей физики (ОФ)
Andre forfattere:	Thi My Hue Tran
Summary:	Title screen The paper describes three common types of interatomic interaction potentials used for constructing theoretical models of the matter. The pair potentials are the Morse potential and the multiparticle potentials are the embedded atom method (EAM), the modified embedded atom method (MEAM). The rules of potential constructing and the fields of their application have been considered. Three types of potentials was used for calculation the elastic properties of palladium. The aim of the work is to determine which of the potentials - Morse potential, EAM or MEAM are better suited for calculating properties of palladium. It was found that all three potential approximately equally determine the properties of palladium. However, the Morse potential has the advantage because its structure is much simpler. Режим доступа: по договору с организацией-держателем ресурса
Sprog:	engelsk
Udgivet:	2016
Serier:	Simulation and modeling in materials engineering
Fag:	электронный ресурс труды учёных ТПУ межатомные потенциалы упругие свойства металлы молекулярная динамика потенциал Морзе палладий
Online adgang:	http://dx.doi.org/10.1063/1.4964599 http://earchive.tpu.ru/handle/11683/35018
Format:	Electronisk Book Chapter
KOHA link:	https://koha.lib.tpu.ru/cgi-bin/koha/opac-detail.pl?biblionumber=652163

Lignende værker

Molecular Dynamics Simulation of Pd and PdH Structure; Key Engineering Materials; Vol. 683 : Multifunctional Materials: Development and Application
af: Chistyakova N. V. Nadezhda Vladimirovna
Udgivet: (2016)

Change of Interatomic Forces in Metal Under the Action Of Ionizing Radiation; Atomic Energy; Vol. 131, iss. 1
af: Krivobokov V. P. Valery Pavlovich
Udgivet: (2021)

The Zero Point Position in Morse’s potential and accurate prediction of thermal expansion in metals; Chemical Physics; Vol. 515
af: Benassi E. Enriko
Udgivet: (2018)

Peculiarities of Molecular Hydrogen Behavior in Palladium Nanopores of Different Morphology; AIP Conference Proceedings; Vol. 1783 : Advanced Materials with Hierarchical Structure for New Technologies and Reliable Structures 2016
Udgivet: (2016)

Детали тонкой структуры аморфного железа. Большая модель; Известия вузов. Физика; Т. 46, № 12
af: Каширин В. Б.
Udgivet: (2003)

A temperature change in elastic and acoustic properties of auricupride; IOP Conference Series: Materials Science and Engineering; Vol. 124 : Mechanical Engineering, Automation and Control Systems (MEACS2015)
af: Tesleva E. P. Elena Pavlovna
Udgivet: (2016)

Matter States Equations under Strong Radiation; 7 International conference on modification of materials with particle beams and plasma flows
af: Krivobokov V. P. Valery Pavlovich
Udgivet: (2004)

Колебательные волновые функции и тетраэдрические расщепления в молекулах типа XY₄ (Td); Перспективы развития фундаментальных наук; Т. 1 : Физика
af: Гун Ц.
Udgivet: (2023)

Measurements of hydrogenated titanium by electric methods; AIP Conference Proceedings; Vol. 1772 : Prospects of Fundamental Sciences Development (PFSD-2016)
af: Larionov V. V. Vitaliy Vasilyevich
Udgivet: (2016)

Research of electro-explosive iron powder using the hydrolytic adsorption method; AIP Conference Proceedings; Vol. 1772 : Prospects of Fundamental Sciences Development (PFSD-2016)
af: Ikonnikova K. V. Ksenia Vladimirovna
Udgivet: (2016)

Модели межатомного взаимодействия в статистической теории сплавов
af: Лесник А. Г. Андрей Герасимович
Udgivet: (Москва, Физматгиз, 1962)

Spatial Distribution of Potential Created by an External Perturbation in Pd and PdH; Computation, Automation, Information Technologies and Safety Systems in Nuclear Industry; Vol. 1084 : Physical-Technical Problems of Nuclear Science, Energy Generation, and Power Industry (PTPAI -2014)
af: Silkin V. M.
Udgivet: (2015)

Analysis of Applicability of Oil Shale for in situ Conversion; AIP Conference Proceedings; Vol. 1772 : Prospects of Fundamental Sciences Development (PFSD-2016)
Udgivet: (2016)

Sterilization influence on PET track membrane properties; AIP Conference Proceedings; Vol. 1772 : Prospects of Fundamental Sciences Development (PFSD-2016)
Udgivet: (2016)

Superficial Acid-Base Properties of Polymer Fibres; AIP Conference Proceedings; Vol. 1772 : Prospects of Fundamental Sciences Development (PFSD-2016)
Udgivet: (2016)

Calculation Method for Cable-Beam Shell Structures; AIP Conference Proceedings; Vol. 1772 : Prospects of Fundamental Sciences Development (PFSD-2016)
Udgivet: (2016)

Transistormorsegeräte: bauanleitungen fur Aufäuger und Fortgeschrittene
af: Oettel R. Reinhard
Udgivet: (Berlin, Deutscher Militärverlag, 1964)

Influence of silver nanoparticles conditions synthesis on their electrochemical properties; AIP Conference Proceedings; Vol. 1772 : Prospects of Fundamental Sciences Development (PFSD-2016)
Udgivet: (2016)

Testing of cracking zeolite catalysts using mathematical model; AIP Conference Proceedings; Vol. 1772 : Prospects of Fundamental Sciences Development (PFSD-2016)
Udgivet: (2016)

Modeling large pneumatic reflectors based on innovative materials; AIP Conference Proceedings; Vol. 1772 : Prospects of Fundamental Sciences Development (PFSD-2016)
af: Belkov A. Alexey
Udgivet: (2016)

Disturbance impulse effects on large umbrella space reflector dynamics; AIP Conference Proceedings; Vol. 1772 : Prospects of Fundamental Sciences Development (PFSD-2016)
Udgivet: (2016)

Formation of electron beam fields with 3D printed filters; AIP Conference Proceedings; Vol. 1772 : Prospects of Fundamental Sciences Development (PFSD-2016)
Udgivet: (2016)

Research of diesel fuels dewaxing process via mathematical model; AIP Conference Proceedings; Vol. 1772 : Prospects of Fundamental Sciences Development (PFSD-2016)
Udgivet: (2016)

Влияние ионизированного излучения на межатомное взаимодействие в металлах; Перспективы развития фундаментальных наук
af: Тишкова В. С.
Udgivet: (2012)

The investigation of the influence of formation conditions on the structure of Ti-40Nb alloy; AIP Conference Proceedings; Vol. 1772 : Prospects of Fundamental Sciences Development (PFSD-2016)
Udgivet: (2016)

Study of localized plastic deformation of stainless steel electrically saturated with hydrogen; AIP Conference Proceedings; Vol. 1772 : Prospects of Fundamental Sciences Development (PFSD-2016)
Udgivet: (2016)

Deformation of face-centered cubic polycrystal and stress tensor components in grains; AIP Conference Proceedings; Vol. 1772 : Prospects of Fundamental Sciences Development (PFSD-2016)
Udgivet: (2016)

Effect of Hydrogen on the Structural and Phase State and Defect Structure of Titanium Alloy; AIP Conference Proceedings; Vol. 1772 : Prospects of Fundamental Sciences Development (PFSD-2016)
Udgivet: (2016)

Development of the method for the electron beam spatial distribution determination in the transverse plane; AIP Conference Proceedings; Vol. 1772 : Prospects of Fundamental Sciences Development (PFSD-2016)
Udgivet: (2016)

Synthesis of Al[2]O[3]-ZrO[2] powders from differently concentrated suspensions with a spray drying technique; AIP Conference Proceedings; Vol. 1772 : Prospects of Fundamental Sciences Development (PFSD-2016)
Udgivet: (2016)

Механизмы диссипации энергии в металлической мишени при воздействии мощных ионизирующих излучений; Проблемы физики высоких плотностей энергии: тезисы международной конференции; Т. 1
af: Блейхер Г. А. Галина Алексеевна
Udgivet: (2017)

Изменение межатомного взаимодействия в металлах при воздействии ионизирующих излучений; Современные техника и технологии; Т. 3
af: Петрова В. Н.
Udgivet: (2012)

Влияние одноосного давления на критическую температуру фазового перехода металл-полупроводник пайерлсовского типа; Известия вузов. Физика; Т. 47, № 10
af: Семенов А. Л.
Udgivet: (2004)

Formation of 2D nanoparticles with block structure in simultaneous electric explosion of conductors; AIP Conference Proceedings; Vol. 1623 : International Conference on Physical Mesomechanics of Multilevel Systems 2014, Tomsk, Russia, 3–5 September 2014
Udgivet: (2014)

Secondary polyvinyl butyral modified with potassium polytitanate for coatings with improved mechanical properties; AIP Conference Proceedings; Vol. 1772 : Prospects of Fundamental Sciences Development (PFSD-2016)
Udgivet: (2016)

Influence of surface state on hydrogen sorption by zirconium alloy Zr1Nb; AIP Conference Proceedings; Vol. 1772 : Prospects of Fundamental Sciences Development (PFSD-2016)
Udgivet: (2016)

The processes in film-forming solution based on tetraethoxysilane, phosphoric acid and calcium chloride; AIP Conference Proceedings; Vol. 1772 : Prospects of Fundamental Sciences Development (PFSD-2016)
Udgivet: (2016)

Studying electromagnetic signal of rock effected by acoustic impact under uniaxial compression; AIP Conference Proceedings; Vol. 1772 : Prospects of Fundamental Sciences Development (PFSD-2016)
Udgivet: (2016)

Investigation of hydrogenation parameters influence on the hydrogen sorption rate by titanium with nickel layer; AIP Conference Proceedings; Vol. 1772 : Prospects of Fundamental Sciences Development (PFSD-2016)
Udgivet: (2016)

Mathematical model of composite fibre-glass aramide-wired cord rheological properties; AIP Conference Proceedings; Vol. 1772 : Prospects of Fundamental Sciences Development (PFSD-2016)
Udgivet: (2016)