Quantitative understanding of the initial stage of liquid to crystalline or amorphous phase transitions DOI

Hao-De Dong,

P. Zhang, Mingyang Qin

et al.

The Innovation Materials, Journal Year: 2024, Volume and Issue: unknown, P. 100086 - 100086

Published: Jan. 1, 2024

<p>In 2005, Science magazine listed the ��nature of a glassy substance�� as one 125 most challenging scientific questions century. A quantitative understanding time-temperature transition (TTT) curve for critical nucleation amorphous materials is crucial to answering this question. Despite extensive efforts over past 70 years, model TTT remains elusive due lack physical properties such interfacial energy at incubation time <i>t</i><sup>*</sup> nucleation. In study, relationship between viscosity and function established developed. The demonstrates excellent agreement with experimental data various materials. Most importantly, it allows accurate definitive determination <i>T</i><sub>0</sub>, true minimum crystallization temperature lower end-point curve, well below which liquid-to-solid state occurs. This offers an unambiguous answer nature substances: Above liquid constant structure relaxation; solid stable structure.</p>

Language: Английский

Optimizing Elemental Transfer Predictions in Submerged Arc Welding via CALPHAD Technology under Varying Heat Inputs: A Case Study into SiO2-Bearing Flux DOI Open Access

Jun Fan,

Jin Zhang, Dan Zhang

et al.

Processes, Journal Year: 2024, Volume and Issue: 12(7), P. 1541 - 1541

Published: July 22, 2024

With the advancement of manufacturing industry, performing submerged arc welding subject to varying heat inputs has become essential. However, traditional thermodynamic models are insufficient for predicting effect input on elemental transfer behavior. This study aims develop a model via CALPHAD technology predict influence essential elements such as O, Si, and Mn when typical SiO2-bearing fluxes employed. The predicted data demonstrate that proposed effectively forecasts changes in behavior induced by inputs. Furthermore, discusses factors affecting under different inputs, supported both measured compositions data. These insights may provide theoretical technical support flux design, material matching, composition prediction various conditions processes

Language: Английский

Citations

1

Efficient structure-informed featurization and property prediction of ordered, dilute, and random atomic structures DOI
Adam M. Krajewski, Jonathan W. Siegel, Zi‐Kui Liu

et al.

Computational Materials Science, Journal Year: 2024, Volume and Issue: 247, P. 113495 - 113495

Published: Nov. 7, 2024

Language: Английский

Citations

1

Machine Learning-Aided High-Throughput First-Principles Calculations to Predict the Formation Energy of μ Phase DOI Creative Commons
Yue Su, Jiong Wang,

You Zou

et al.

ACS Omega, Journal Year: 2023, Volume and Issue: 8(40), P. 37317 - 37328

Published: Sept. 27, 2023

The μ phase is a type of hard and brittle constituent that exists in high-temperature alloys. formation energy crucial thermochemical datum, the accurate calculation contributes to material design Traditional first-principles calculations demand significant computational time resources. In this study, an innovative machine learning (ML)-based approach accurately predict proposed. This involves utilization six algorithms two model evaluation methods construct ML models. Leveraging comprehensive data set containing 1036 binary configurations phase, trained using 10-fold cross-validation technique, multilayer perceptron (MLP) algorithm achieves mean absolute error (MAE) 23.906 meV/atom. To validate its generalization performance, further validated on 900 ternary configurations, resulting MAE 32.754 Compared with solely traditional calculations, our significantly reduces by at least 52%. Moreover, exhibits exceptional accuracy predicting lattice parameters phase. values for

Language: Английский

Citations

3

Research progress in CALPHAD assisted metal additive manufacturing DOI

Yaqing Hou,

Xiaoqun Li,

Weidong Cai

et al.

China Foundry, Journal Year: 2024, Volume and Issue: 21(4), P. 295 - 310

Published: July 1, 2024

Language: Английский

Citations

0

Quantitative understanding of the initial stage of liquid to crystalline or amorphous phase transitions DOI

Hao-De Dong,

P. Zhang, Mingyang Qin

et al.

The Innovation Materials, Journal Year: 2024, Volume and Issue: unknown, P. 100086 - 100086

Published: Jan. 1, 2024

<p>In 2005, Science magazine listed the ��nature of a glassy substance�� as one 125 most challenging scientific questions century. A quantitative understanding time-temperature transition (TTT) curve for critical nucleation amorphous materials is crucial to answering this question. Despite extensive efforts over past 70 years, model TTT remains elusive due lack physical properties such interfacial energy at incubation time <i>t</i><sup>*</sup> nucleation. In study, relationship between viscosity and function established developed. The demonstrates excellent agreement with experimental data various materials. Most importantly, it allows accurate definitive determination <i>T</i><sub>0</sub>, true minimum crystallization temperature lower end-point curve, well below which liquid-to-solid state occurs. This offers an unambiguous answer nature substances: Above liquid constant structure relaxation; solid stable structure.</p>

Language: Английский

Citations

0