Quaternary Hydrides Pd1-y-zAgyCuzHx Embedded Atom Method Potentials for Hydrogen Energy Applications
Date of Award
2020
Degree Name
Mechanical Engineering
College
College of Engineering and Computer Sciences
Type of Degree
M.S.
Document Type
Thesis
First Advisor
Dr. Iyad Hijazi, Committee Chairperson
Second Advisor
Dr. Gang Chen
Third Advisor
Dr. Roozbeh Ross Salary
Abstract
The Pd-H system has attracted extensive attention. Pd can absorb considerable H at room temperature, this ability is reversible, so it is suitable for multiple energy applications. Pd-Ag alloys possess higher H permeability, solubility and narrower miscibility gap with better mechanical properties than pure Pd, but sulfur poisoning remains an issue. Pd-Cu alloys have excellent resistance to sulfur and carbon monoxide poisoning and hydrogen embrittlement, good mechanical properties, and broader temperature working environments over pure Pd, but relatively lower hydrogen permeability and solubility than pure Pd and Pd-Ag alloys. This suggests that alloying Pd with Ag and Cu to create Pd-Ag-Cu ternary alloys can optimize the overall performance and substantially lowers the cost. Thus, in this research, the first embedded atom method potentials for the quaternary hydrides Pd1-y-zAgyCuzHx were provided. The fully analytical potentials are fitted utilizing the central atom method without performing time-consuming molecular dynamics simulations.
Subject(s)
Hydrides -- Research.
Materials science -- Research.
Recommended Citation
Zhang, Chaonan, "Quaternary Hydrides Pd1-y-zAgyCuzHx Embedded Atom Method Potentials for Hydrogen Energy Applications" (2020). Theses, Dissertations and Capstones. 1324.
https://mds.marshall.edu/etd/1324
