Modelling and prediction of hardness in multi-component alloys: A combined machine learning, first principles and experimental study

2021 ◽  
Vol 853 ◽  
pp. 156959 ◽  
Author(s):  
Ling Qiao ◽  
Zhonghong Lai ◽  
Yong Liu ◽  
Aorigele Bao ◽  
Jingchuan Zhu
Keyword(s):  
Machine Learning ◽  
Experimental Study ◽  
First Principles

Machine-Learning-Assisted First-Principles Calculations of Strained InAs1−xSbx Alloys for Curved Focal-Plane Arrays

2021 ◽  
Vol 15 (6) ◽  
Author(s):  
Alexandros Kyrtsos ◽  
John Glennon ◽  
Andreu Glasmann ◽  
Mark R. O’Masta ◽  
Binh-Minh Nguyen ◽  
...  
Keyword(s):  
Machine Learning ◽  
First Principles ◽  
Focal Plane ◽  
Focal Plane Arrays ◽  
First Principles Calculations

Modeling fine-scale residential land price distribution: An experimental study using open data and machine learning

2021 ◽  
Vol 129 ◽  
pp. 102442
Author(s):  
Peng Zhang ◽  
Shougeng Hu ◽  
Weidong Li ◽  
Chuanrong Zhang ◽  
Shengfu Yang ◽  
...  
Keyword(s):  
Machine Learning ◽  
Experimental Study ◽  
Open Data ◽  
Fine Scale ◽  
Land Price ◽  
Residential Land ◽  
Price Distribution

scholarly journals Edge-Propagation Discharge Mechanism in CFx Batteries—A First-Principles and Experimental Study

2021 ◽  
Author(s):  
Kevin Leung ◽  
Noah B. Schorr ◽  
Matthew Mayer ◽  
Timothy N. Lambert ◽  
Y. Shirley Meng ◽  
...  
Keyword(s):  
Experimental Study ◽  
First Principles ◽  
Discharge Mechanism

First principles and machine learning based superior catalytic activities and selectivities for N2 reduction in MBenes, defective 2D materials and 2D π-conjugated polymer-supported single atom catalysts

2021 ◽  
Author(s):  
Mohammad Zafari ◽  
Arun S. Nissimagoudar ◽  
Muhammad Umer ◽  
Geunsik Lee ◽  
Kwang S. Kim
Keyword(s):  
Machine Learning ◽  
Nitrogen Fixation ◽  
First Principles ◽  
Conjugated Polymer ◽  
2D Materials ◽  
Single Atom ◽  
Vacancy Defects ◽  
Catalytic Activities ◽  
Polymer Supported ◽  
New Machine

The catalytic activity and selectivity can be improved for nitrogen fixation by using hollow sites and vacancy defects in 2D materials, while a new machine learning descriptor accelerates screening of efficient electrocatalysts.

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