Molecular Dynamics Simulations of Poly(dimethylsiloxane) Elasticity

Kód výsledku v IS VaVaI

<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F68407700%3A21340%2F18%3A00333559" target="_blank" >RIV/68407700:21340/18:00333559 - isvavai.cz</a>

Výsledek na webu

<a href="http://hdl.handle.net/10467/86104" target="_blank" >http://hdl.handle.net/10467/86104</a>

DOI - Digital Object Identifier

<a href="http://dx.doi.org/10.12693/APhysPolA.134.857" target="_blank" >10.12693/APhysPolA.134.857</a>

Jazyk výsledku

angličtina

Název v původním jazyce

Molecular Dynamics Simulations of Poly(dimethylsiloxane) Elasticity

Popis výsledku v původním jazyce

Cross-linked polymers have unique and advantageous properties due to the infinite elastic chains. Poly(dimethylsiloxane) (PDMS) belongs into a group of non-toxic, relatively inert and highly elastic polymers (elastomers). In addition, this material is easy to fabricate and has favorable optical and mechanical properties, and it is widely used in fiber optics. Based on testing three different simulation techniques for getting closer insight into the structural background of physical properties of PDMS resin, the molecular dynamics method is chosen. The main topic of this paper is an analysis of relationship between the PDMS cross-linking level and its elasticity. The calculations are performed within the Materials Studio (MS) simulation environment (Biovia Software Inc. USA) using molecular dynamics (MD) theory implemented in MS Forcite Plus module. The obtained results are compared with the newest experimental data available for real PDMS materials.

Název v anglickém jazyce

Molecular Dynamics Simulations of Poly(dimethylsiloxane) Elasticity

Popis výsledku anglicky

Cross-linked polymers have unique and advantageous properties due to the infinite elastic chains. Poly(dimethylsiloxane) (PDMS) belongs into a group of non-toxic, relatively inert and highly elastic polymers (elastomers). In addition, this material is easy to fabricate and has favorable optical and mechanical properties, and it is widely used in fiber optics. Based on testing three different simulation techniques for getting closer insight into the structural background of physical properties of PDMS resin, the molecular dynamics method is chosen. The main topic of this paper is an analysis of relationship between the PDMS cross-linking level and its elasticity. The calculations are performed within the Materials Studio (MS) simulation environment (Biovia Software Inc. USA) using molecular dynamics (MD) theory implemented in MS Forcite Plus module. The obtained results are compared with the newest experimental data available for real PDMS materials.

Druh

J_imp - Článek v periodiku v databázi Web of Science

CEP obor

—

OECD FORD obor

10302 - Condensed matter physics (including formerly solid state physics, supercond.)

Projekt

<a href="/cs/project/GB14-36566G" target="_blank" >GB14-36566G: Multidisciplinární výzkumné centrum moderních materiálů</a><br>

Návaznosti

P - Projekt vyzkumu a vyvoje financovany z verejnych zdroju (s odkazem do CEP)

Rok uplatnění

2018

Kód důvěrnosti údajů

S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů

Název periodika

Acta Physica Polonica A

ISSN

0587-4246

e-ISSN

1898-794X

Svazek periodika

134

Číslo periodika v rámci svazku

3

Stát vydavatele periodika

PL - Polská republika

Počet stran výsledku

2

Strana od-do

857-858

Kód UT WoS článku

000453257500055

EID výsledku v databázi Scopus

2-s2.0-85058931441