TY - JOUR
TI - First-principles study on the mechanical properties of Al3NiP4 under strain
AU - Chen Yu
JN - Thermal Science
PY - 2025
VL - 29
IS - 3
SP - 1803
EP - 1810
PT - Article
AB - In this study, the mechanical properties of Al3NiP4 were calculated by  applying uniaxial strain in the a-direction. It has been demonstrated that  when the strain reaches 27%, the requisite mechanical stability condition is  not met. Consequently, the mechanical properties of Al3NiP4 were examined  exclusively within the strain range of 0% to 26%. The stress-strain curve of  Al3NiP4 under uniaxial strain revealed that the application of strain in  the a-direction resulted in significantly greater stress in the a-direction  than in the b- and c-directions. When the strain in the a-direction is less  than 18%, the stress-strain curve exhibits a linear pattern that is  representative of the expected behavior. When the strain exceeds 18%, a  slight non-linear phenomenon is observed. Among all deformations, Al3NiP4  exhibits elastic deformation without significant plastic deformation.  Additionally, it was observed that stretching can modify the elastic modulus  of Al3NiP4, enhance its Vickers hardness, and diminish its ductility. Our  findings indicate that the mechanical properties of Al3NiP4 can be  regulated by applying uniaxial strain, thereby expanding the scope of  applications for Al3NiP4 materials.