首页|Findings on Machine Learning Detailed by Investigators at Southwest University of Science and Technology (Mechanical Properties of Mo-re Alloy Based On First-principles and Machine Learning Potential Function)
Findings on Machine Learning Detailed by Investigators at Southwest University of Science and Technology (Mechanical Properties of Mo-re Alloy Based On First-principles and Machine Learning Potential Function)
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Elsevier
By a News Reporter-Staff News Editor at Robotics & Machine Learning Daily News Daily News – Current study results on Machine Learning have been published. According to news reporting originating in Mianyang, People’s Republic of China, by NewsRx journalists, research stated, “This study utilizes first principles calculations of density functional theory and Spectral Neighbor Analysis Po-tential (SNAP) machine learning potential to investigate the influence of rhenium concentration and temperature on the fundamental mechanical properties of Molybdenum-Rhenium alloy. The Mo1_ xRex alloys (x = 0.0625-0.5) are constructed using a special quasi-random structure BCC model.” The news reporters obtained a quote from the research from the Southwest University of Science and Technology, “The optimized geometries and lattices are used to calculate elastic constants and derivate mechanical parameters, including Bulk modulus, Young’s modulus, Shear modulus, etc. The results show that with the increase of rhenium content, the me-chanical properties of Mo1_xRex alloy are significantly improved, and higher than pure molybdenum, the best properties are reached at x(Re) = 0.3125. On the other hand, by analyzing the ratio of bulk modulus to shear modulus (B/G) and Poisson’s ratio, the alloying of rhenium can also improve the ductility of molybdenum rhenium alloy. To address the challenge of calculating the high-temperature mechanical properties of Molybdenum-Rhenium alloy, a machine learning potential was developed within a training set called Spectral Neighbor Analysis Potential (SNAP). We accurately predicted the bulk modulus, shear modulus, Young’s modulus, and Poisson’s ratio of Molybdenum-Rhenium alloy over the temperature range of 300-1300 K. Additionally, we provided an accurate description of how temperature affects the mechanical properties and solubility of Molybdenum- Rhenium alloy.”
MianyangPeople’s Republic of ChinaAsiaCyborgsEmerging TechnologiesMachine LearningMolybdenumRheniumTransition ElementsSouthwest University of Science and Technology
NETL
NSTL
Elsevier
