Predicting path-dependent diffusion barrier spectra in vast compositional space of multi-principal element alloys via convolutional neural networks

Z Fan, B Xing, P Cao - Acta Materialia, 2022 - Elsevier
The emergent multi-principal element alloys (MPEAs) provide a vast compositional space to
search for novel materials for technological advances. How to screen promising …

Influence of short-range order on diffusion in multiprincipal element alloys from long-time atomistic simulations

B Xu, S Ma, S Huang, J Zhang, Y Xiong, H Fu… - Physical Review …, 2023 - APS
Short-range order (SRO) is an important structural characteristic in multiprincipal element
alloys (MPEAs) that plays a crucial role in their superior mechanical and physical properties …

A physics-informed neural network-based numerical inverse method for optimization of diffusion coefficients in NiCoFeCr multi principal element alloy

H Kumar, A Dash, A Paul, S Bhattacharyya - Scripta Materialia, 2022 - Elsevier
The composition-dependent pseudo-binary (PB) interdiffusion coefficients and the main
intrinsic diffusion coefficients of all the components at the near equiatomic composition of …

[HTML][HTML] Exploring the influence of percolation on vacancy-mediated diffusion in CoCrNi multi-principal element alloys

B Xu, S Ma, Y Xiong, J Zhang, S Huang, JJ Kai… - Materials & Design, 2022 - Elsevier
Multi-principal element alloys (MPEAs), including high entropy alloys, show exceptional
mechanical properties and corrosion resistance. These unusual properties are mostly …

Utilising physics-informed neural networks for optimisation of diffusion coefficients in pseudo-binary diffusion couples

H Kumar, N Esakkiraja, A Dash, A Paul… - Philosophical …, 2023 - Taylor & Francis
We propose a numerical inverse method based on physics-informed neural networks (PINN)
for calculating composition-dependent diffusion coefficients in pseudo-binary (PB) diffusion …

[HTML][HTML] Machine learning correlated with phenomenological mode unlocks the vast compositional space of eutectics of multi-principal element alloys

K Chen, Z Xiong, M An, T Xie, W Zou, Y Xue, X Cheng - Materials & Design, 2022 - Elsevier
Eutectic multi-principal element alloys (MPEAs) present a vast compositional space of
eutectics, providing a great potential to tailor mechanical performance. However, only limited …

Rapid discovery of high hardness multi-principal-element alloys using a generative adversarial network model

A Roy, A Hussain, P Sharma, G Balasubramanian… - Acta Materialia, 2023 - Elsevier
Multi-principal element alloys (MPEAs) continue to gain research prominence due to their
promising high-temperature microstructural and mechanical properties. Recently, machine …

A general approach to quantify the uncertainty of interdiffusion coefficients in binary, ternary and multicomponent systems evaluated using Matano-based methods

X Wu, J Zhong, L Zhang - Acta Materialia, 2020 - Elsevier
In this paper, we developed a general approach to quantify the uncertainties of interdiffusion
coefficients in binary, ternary and multicomponent systems evaluated using the Boltzmann …

Automation of diffusion database development in multicomponent alloys from large number of experimental composition profiles

J Zhong, L Chen, L Zhang - npj Computational Materials, 2021 - nature.com
Nowadays, the urgency for the high-quality interdiffusion coefficients and atomic mobilities
with quantified uncertainties in multicomponent/multi-principal element alloys, which are …

Short-range order localizing diffusion in multi-principal element alloys

B Xing, X Wang, WJ Bowman, P Cao - Scripta Materialia, 2022 - Elsevier
The impact of chemical short-range order (SRO) on diffusion is computationally studied and
theoretically analyzed in two classes of multi-principal elements alloys, fcc CrCoNi and bcc …