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On the basis of the first principles simulation, the structure, formation enthalpy, and mechanical properties (elastic constant, bulk, and shear modulus and hardness) of five Nb-doped Ni systems are systematically studied. The calculated equilibrium volume increases with the Nb concentration increasing. The computational elastic constants and formation enthalpy indicate that all Nb-doped Ni systems are mechanically and thermodynamically stable in our research. The hardness of these systems also be predicted after the bulk modulus and shear modulus have been accurately calculated. The results show that the hardness increases with the Nb concentration increasing when the Nb concentration below 4.9%, beyond which the hardness will decrease within the scope of our study.
Physics-driven discovery in an autonomous experiment has emerged as a dream application of machine learning in physical sciences. Here we develop and experimentally implement deep kernel learning workflow combining the correlative prediction of the t
Our understanding of the elasticity and rheology of disordered materials, such as granular piles, foams, emulsions or dense suspensions relies on improving experimental tools to characterize their behaviour at the particle scale. While 2D observation
Motivated by a freely suspended graphene and polymerized membranes in soft and biological matter we present a detailed study of a tensionless elastic sheet in the presence of thermal fluctuations and quenched disorder. The manuscript is based on an e
Two-dimensional (2D) transition metal dichalcogenides (TMDCs) have been the subject of sustained research interest due to their extraordinary electronic and optical properties. They also exhibit a wide range of structural phases because of the differ
Phase diagrams are an invaluable tool for material synthesis and provide information on the phases of the material at any given thermodynamic condition. Conventional phase diagram generation involves experimentation to provide an initial estimate of