Investigation of Mechanical Properties of ZSM-5-based Materials through MD Simulations
Source abstract
Abstract
Mechanical properties of ZSM-5 zeolites are investigated through molecular dynamics simulation in this work. Negative thermal expansion (NTE) of ZSM-5 is observed and the mechanism of NTE at atomic scale is discussed. Effects of environment temperature and material defects are studied. It is shown that tensile strength decreases when the ambient temperature is increased. It is found that introducing defects into the material leads to lower tensile strength. With the onset of failure of the sample, there occurs a sudden drop of virial stress.
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Research context
OpenAlex topics: Thermal Expansion and Ionic Conductivity · Zeolite Catalysis and Synthesis · Advanced Battery Materials and Technologies
SciVX discovery tags are terminology-based. OpenAlex topics are source-provided classifications.
Affiliations
Department of Mechanical and Aerospace Engineering University of Florida, Gainesville, Florida, USA
Department of Mechanical and Aerospace Engineering University of Florida, Gainesville, Florida, USA,
Department of Mechanical and Aerospace Engineering The George Washington University, Washington, DC, USA
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