相关论文: Stacking fault energy prediction for austenitic st…
As inelastic design for wind is embraced by the engineering community, there is an increasing demand for computational tools that enable the investigation of the nonlinear behavior of wind-excited structures and subsequent development of…
Point defects dictate the properties of many functional materials. The standard approach to modelling the thermodynamics of defects relies on a static description, where the change in Gibbs free energy is approximated by the internal…
The increasing complexity of deep neural networks poses significant barriers to democratizing them to resource-limited edge devices. To address this challenge, split federated learning (SFL) has emerged as a promising solution by of…
Thermodynamics is fundamental for understanding and synthesizing multi-component materials, while efficient and accurate prediction of it still remain urgent and challenging. As a demonstration of the "Divide and conquer" strategy…
The software package ESPEI has been developed for efficient evaluation of thermodynamic model parameters within the CALPHAD method. ESPEI uses a linear fitting strategy to parameterize Gibbs energy functions of single phases based on their…
Learning an energy-based model from data samples is a central problem in machine learning. Many recent and popular methods, such as denoising score matching for training energy-based diffusion models, use stochastic interpolants to corrupt…
High-entropy alloys (HEAs) stand out between multi-component alloys due to their attractive microstructures and mechanical properties. In this investigation, molecular dynamics (MD) simulation and machine learning were used to ascertain the…
In the current study, the fatigue life of QSTE340TM steel was modelled using a machine learning method, namely, a neural network. This problem was solved by a Multi-Layer Perceptron (MLP) neural network with a 3-75-1 architecture, which…
An innovative physics-guided learning algorithm for predicting the mechanical response of materials and structures is proposed in this paper. The key concept of the proposed study is based on the fact that physics models are governed by…
The elastocaloric effect (ECE) is a thermodynamic quantity relating changes in entropy to changes in strain experienced by a material. As such, ECE measurements can provide valuable information about the entropy landscape proximate to…
Additive manufacturing (AM) enables the development of high-performance architected cellular materials, emphasizing the growing importance of establishing programmable and predictable energy absorption capabilities. This study evaluates the…
In this paper, we propose a data-driven method to learn interpretable topological features of biomolecular data and demonstrate the efficacy of parsimonious models trained on topological features in predicting the stability of synthetic…
Machine learning is becoming a powerful tool to predict temperature-dependent yield strengths (YS) of structural materials, particularly for multi-principal-element systems. However, successful machine-learning predictions depend on the use…
Accurate knowledge of scrap composition can increase the usage of recycled material to produce steel, reducing the need for raw ore extraction and minimizing environmental impact by conserving natural resources and lowering carbon…
Spatial and temporal features are studied with respect to their predictive value for failure time prediction in subcritical failure with machine learning (ML). Data are generated from simulations of a novel, brittle random fuse model (RFM),…
Prediction of breakdown in disordered solids under external loading in a question of paramount importance. Here we use a fiber bundle model for disordered solids and record the time series of the avalanche sizes and energy bursts. The time…
The FE$^2$ homogenization algorithm for multiscale modeling iterates between the macroscale and the microscale (represented by a representative volume element) till convergence is achieved at every increment of macroscale loading. The…
AI algorithms have proven to be excellent predictors of protein structure, but whether and how much these algorithms can capture the underlying physics remains an open question. Here, we aim to test this question using the Alphafold2 (AF)…
A well-established approach for inferring full displacement and stress fields from possibly sparse data is to calibrate the parameter of a given constitutive model using a Bayesian update. After calibration, a (stochastic) forward…
Accurate prediction of fracture toughness under complex loading conditions, like mixed mode I/II, is essential for reliable failure assessment. This paper aims to develop a machine learning framework for predicting fracture toughness and…