Results 61 to 70 of about 4,338 (236)

Phase Diagrams Enable Solid‐State Battery Design

Advanced Materials Interfaces, EarlyView.
Batteries are non‐equilibrium devices with inherent thermodynamic driving forces to react at interfaces, regardless of kinetics or operating conditions. Chemical potential mismatches across interfaces are dissipated via interfacial reactions. In this work, it is illustrated how phase diagrams and chemical potential maps predict degradation pathways but
Nathaniel L. Skeele, Matthias T. Agne
wiley   +1 more source

Thermodynamic calculation of phase diagrams for Al-C-X（X=Mo，Nb，Ta，V）

Cailiao gongcheng
The Al-C-X（X=Mo，Nb，Ta，V） systems are studied by CALPHAD （calculation of phase diagrams） coupled with first-principles calculations. Two ternary phases，Ta5Al3C and Ta2AlC are identified in the Al-C-Ta system.
SHI Chuang, XIA Xin, ZHANG Weibin, WANG Weili, HAN Guifang, GONG Hongyu, ZHANG Jingde   +6 more
doaj   +1 more source

Thermodynamic Study on Initial Oxidation Behavior of TiAl-Nb Alloys at High Temperature

Metals, 2023
The initial oxidation behavior of TiAl-Nb alloys was systematically investigated against the composition, temperature, and partial pressure of O2 with the CALculation of PHAse Diagrams (CALPHAD) technique.
Zicheng Dong, Aihan Feng, Hao Wang, Shoujiang Qu, Hao Wang   +4 more
doaj   +1 more source

An Integrated NLP‐ML Framework for Property Prediction and Design of Steels

Advanced Science, EarlyView.
This study presents a data‐driven framework that uses language‐processing techniques to interpret steel processing descriptions and machine‐learning models to predict mechanical properties. By organising complex process histories into meaningful groups and enabling rapid property forecasts, the work supports faster, more informed steel design through ...
Kiran Devraju, Adithya Umanath Rai, Jose Thomson, Marzie Ghorbani, Shujing Zhao, Nick Birbilis   +5 more
wiley   +1 more source

Phase Transformations and Structural Transformations of Manganese Silicides in the Si-Mn System

East European Journal of Physics
A comprehensive investigation of thermally induced phase transformations in the silicon-manganese (Si–Mn) system was conducted. The study utilized X-ray diffraction (XRD), Raman spectroscopy (including chemical Raman mapping), scanning electron ...
Sh.B. Utamuradova, Sh.Kh. Daliev, J.J. Khamdamov, Kh.J. Matchonov, A.Kh. Khaitbaev   +4 more
doaj   +1 more source

Sustainable Materials Design With Multi‐Modal Artificial Intelligence

Advanced Science, EarlyView.
Critical mineral scarcity, high embodied carbon, and persistent pollution from materials processing intensify the need for sustainable materials design. This review frames the problem as multi‐objective optimization under heterogeneous, high‐dimensional evidence and highlights multi‐modal AI as an enabling pathway.
Tianyi Xu, Tianshuo Wei, Yan Ge, Bo Peng, Yue Li, Maolin Wang, Peng Wen, Chao Yang, Ye Wei   +8 more
wiley   +1 more source

Phase diagram construction and prediction method based on machine learning algorithms

Journal of Materials Research and Technology
Phase diagram, which is known as the “compass” and “map” of materials research, plays a guiding role in the material design and development. Conventional CALPHAD method could provide the detailed information on the phase equilibria via the assessment of ...
Shengkun Xi, Jiahui Li, Longke Bao, Rongpei Shi, Haijun Zhang, Xiaoyu Chong, Zhou Li, Cuiping Wang, Xingjun Liu   +8 more
doaj   +1 more source

High‐Throughput Data Generation and Transfer Learning Enabled Microstructure‐Property Integrated Design of Nickel‐Based Powder Metallurgy Superalloy

Advanced Science, EarlyView.
An integrated transfer learning framework integrates CALPHAD simulations, diffusion‐multiple experiments, and literature data to predict long‐term microstructural stability and short‐term mechanical properties of Ni‐based powder metallurgy superalloys. Based on these model predictions, a high‐performance, low‐density alloy, USTB‐PM750, is designed from
Zixin Li, Hongtao Zhang, Zichao Peng, Yuheng Zhang, Qian Lv, Yihuan Cao, Xuqing Wang, Huadong Fu, Jianxin Xie   +8 more
wiley   +1 more source

Electric‐Current‐Induced Phase Transformation in Cu6Sn5 Below Its Equilibrium Transition Temperature

Advanced Science, EarlyView.
Electric current induces a monoclinic‐to‐hexagonal phase transformation in Cu6Sn5 at a measured bulk temperature of ∼120°C, below the equilibrium transition temperature. Ex situ synchrotron x‐ray diffraction, TEM, and matched thermal controls show that current stressing promotes the formation of a retained hexagonal η‐phase post‐stress state not ...
Shih‐kang Lin, Shubhayan Mukherjee, Yu‐chen Liu, Jun Mizuno   +3 more
wiley   +1 more source

Modelling the density of Al2O3-CaO-MgO-SiO2 system using the CALPHAD approach

, 2020
The density of Al2O3-CaO-MgO-SiO2 system is calculated using a model for molar volume. The model is similar to the one used for enthalpy of a multicomponent solution in the CALPHAD approach.
Seetharaman, Seshadri,, Kumar, K. C. Hari,, Viswanathan, N. N.,, Moharana, Niraja,   +3 more
core   +1 more source