Generative ai and process systems engineering: The next frontier

B Decardi-Nelson, AS Alshehri, A Ajagekar… - Computers & Chemical …, 2024 - Elsevier
This review article explores how emerging generative artificial intelligence (GenAI) models,
such as large language models (LLMs), can enhance solution methodologies within process …

Generative deep learning for the inverse design of materials

T Long, Y Zhang, H Zhang - arXiv preprint arXiv:2409.19124, 2024 - arxiv.org
In addition to the forward inference of materials properties using machine learning,
generative deep learning techniques applied on materials science allow the inverse design …

Transfer learning enables the rapid design of single crystal superalloys with superior creep resistances at ultrahigh temperature

F Yang, W Zhao, Y Ru, S Lin, J Huang, B Du… - npj Computational …, 2024 - nature.com
Accelerating the design of Ni-based single crystal (SX) superalloys with superior creep
resistance at ultrahigh temperatures is a desirable goal but extremely challenging task. In …

Exploring chemistry and additive manufacturing design spaces: a perspective on computationally-guided design of printable alloys

S Sheikh, B Vela, V Attari, X Huang… - Materials Research …, 2024 - Taylor & Francis
Additive manufacturing (AM), especially Laser Powder-Bed Fusion (L-PBF), provides alloys
with unique properties, but faces printability challenges like porosity and cracks. To address …

A deep learning-based crystal plasticity finite element model

Y Mao, S Keshavarz, MNT Kilic, K Wang, Y Li… - Scripta Materialia, 2025 - Elsevier
This study presents an innovative deep learning-based surrogate model for the Crystal
Plasticity Finite Element (CPFE) method, fundamentally transforming the generation of …

[HTML][HTML] Inverse Design of Microstructures Using Conditional Continuous Normalizing Flows

H Mirzaee, S Kamrava - Acta Materialia, 2024 - Elsevier
Inverse design is a classical mathematical challenge found in various fields, including
materials science, where it is essential for property-driven microstructure design. This …

A 30-Year Review on Nanocomposites: Comprehensive Bibliometric Insights into Microstructural, Electrical, and Mechanical Properties Assisted by Artificial …

F Gomes Souza Jr, S Bhansali, K Pal… - Materials, 2024 - mdpi.com
From 1990 to 2024, this study presents a groundbreaking bibliometric and sentiment
analysis of nanocomposite literature, distinguishing itself from existing reviews through its …

[HTML][HTML] PSP-GEN: Stochastic inversion of the Process–Structure–Property chain in materials design through deep, generative probabilistic modeling

Y Zang, PS Koutsourelakis - Acta Materialia, 2025 - Elsevier
Inverse material design is a cornerstone challenge in materials science, with significant
applications across many industries. Traditional approaches that invert the structure …

Uncertainty quantification of microstructures: a perspective on forward and inverse problems for mechanical properties of aerospace materials

MM Billah, M Elleithy, W Khan, S Yıldız… - Advanced …, 2024 - Wiley Online Library
In this review, state‐of‐the‐art studies on the uncertainty quantification (UQ) of
microstructures in aerospace materials is examined, addressing both forward and inverse …

Phase-field model of silicon carbide growth during isothermal condition

EJ Munoz, V Attari, MC Martinez, MB Dickerson… - Computational Materials …, 2024 - Elsevier
Silicon carbide (SiC) emerges as a promising ceramic material for high-temperature
structural applications, especially within the aerospace sector. The utilization of SiC-based …