Exploring mechanical performance in Al-Pt binary alloys through molecular dynamics simulations

This study systematically explores the impact of environmental factors on the mechanical properties of an Al-Pt binary alloy using molecular dynamics simulations. By varying Pt content and examining key conditions such as temperature, strain rate, and vacancy defects, we delve into their combined effects on the alloy's fracture behavior and overall mechanical performance. Our simulations demonstrate that increasing strain rates enhance fracture strength, while higher temperatures and vacancy concentrations notably reduce it. In contrast, the elastic modulus remained relatively insensitive to these environmental changes. Furthermore, our study highlights the crucial role of point vacancies in accelerating fracture initiation, providing new insights into the failure mechanisms of Al-Pt alloys. These findings have significant implications for the design and optimization of high-performance alloy materials, particularly for applications requiring resilience under extreme operational conditions. The detailed analysis of fracture strength across various environmental scenarios offers a pathway to developing alloys with improved durability and mechanical integrity. • MD simulations explored the tensile behavior of the Al-Pt alloy. • Increased Pt content strengthens the Al-Pt alloy. • Temperature and strain rate affect the mechanical properties of the Al-Pt alloy. • Vacancies weaken the Al-Pt lattice structure. • Findings aid in the design of Al-Pt alloys for energy and NEMS applications.