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팔라듐에 관한 수소저장과 팽창거동에 관한 수치해석Numerical Study on Hydrogen Absorption and Expansion Behavior on Palladium

Other Titles
Numerical Study on Hydrogen Absorption and Expansion Behavior on Palladium
Authors
김세웅황철민장태익정영관
Issue Date
2007
Publisher
한국수소및신에너지학회
Keywords
Embedded Atom Method; palladium; hydrogen; hydride; density function theory; energy minimization method; electrochemical method; expansion rate; EAM; 팔라듐; 수소; 수소화물; 밀도범위함수론; 에너지 최소화법; 전기화학적 방법; 팽창률
Citation
한국수소및신에너지학회논문집, v.18, no.3, pp 256 - 264
Pages
9
Journal Title
한국수소및신에너지학회논문집
Volume
18
Number
3
Start Page
256
End Page
264
URI
https://scholarworks.bwise.kr/kumoh/handle/2020.sw.kumoh/22875
ISSN
1738-7264
Abstract
In order to calculate the relation between the hydrogen and the hydrogen absorption metals in the atomic level, Embedded Atom Method(EAM) is recommended. In this study, we had constructed the EAM programs from constitutive formulas and parameters of the hydrogen and palladium for the purpose of predicting the expansion behavior on hydrogen absorbing in the geometric shape of hydrogen absorption metals, as palladium bars and plates. And the EAM analyses data were compared with the experiment data by using electrochemical method. As results, it is note that the expansion rate in thickness of the palladium plate model by EAM analyses is about 4 times larger than width and length, be similar to experiment results. Also, in the microscopic and macroscopic level the expansion behavior through EAM analyses show good agreement with experiment data.
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