相关论文: An Interpretable Boosting-based Predictive Model f…

We investigate the parameter space of transformer models trained on protein sequence data using a statistical mechanics framework, sampling the loss landscape at varying temperatures by Langevin dynamics to characterize the low-loss…

In this study, a machine learning-based technique is developed to reduce the computational cost required to explore large design spaces of substitutional alloys. The first advancement is based on a neural network approach to predict the…

The thermal memory effect, TME, has been studied in Ni55Fe19Ga26 shape memory alloys, fabricated as ribbons via melt-spinning and as pellets via arc-melting, to evaluate its dependence on the martensitic structure and the macrostructure of…

This paper presents a comparative study between two micro-macro modeling approaches to simulate stress-induced martensitic transformation in shape memory alloys (SMA). One model is a crystal plasticity based model and the other describes…

Shape memory alloys inherit their macroscopic properties from their mesoscale microstructure originated from the martensitic phase transformation. In a cubic to orthorhombic transition, a single variant of marten- site can have a compatible…

Modulated phases occur in numerous functional materials like giant ferroelectrics and magnetic shape memory alloys. To understand the origin of these phases, we review and generalize the concept of adaptive martensite. As a starting point,…

It is important to predict how the Global Mean Temperature (GMT) will evolve in the next few decades. The ability to predict historical data is a necessary first step toward the actual goal of making long-range forecasts. This paper…

Superconductors have been among the most fascinating substances, as the fundamental concept of superconductivity as well as the correlation of critical temperature and superconductive materials have been the focus of extensive investigation…

Thermal errors in machine tools significantly impact machining precision and productivity. Traditional thermal error correction/compensation methods rely on measured temperature-deformation fields or on transfer functions. Most existing…

Ni57.5Mn17.5Ga25 shape memory alloy exhibits a complex transformation behavior, appearing after aging. Aging in the austenitic state resulted in an ordinary decrease of the martensitic transformation temperature. Contrary to this, aging in…

The phenomenological theory of martensite crystallography (PTMC) developed in the 1950s explains the main crystallographic and microstructural features of martensite in shape memory alloys, such as the habit planes of bi-variant laminate…

The magnetic correlations in the austenite phase and the consequent martensitic transition in inverse magnetocaloric alloys, Ni$_{2}$Mn$_{1+x}$Sn$_{1-x}$, have been a matter of debate for decades. We conclusively establish using {\it ab…

Inorganic synthesis planning currently relies primarily on heuristic approaches or machine-learning models trained on limited datasets, which constrains its generality. We demonstrate that language models, without task-specific fine-tuning,…

In computational materials science, a common means for predicting macroscopic (e.g., mechanical) properties of an alloy is to define a model using combinations of descriptors that depend on some material properties (elastic constants,…

Accurate and computationally-viable representations of clouds and turbulence are a long-standing challenge for climate model development. Traditional parameterizations that crudely but efficiently approximate these processes are a leading…

Thermoelectric properties of Half Heusler alloys are predicted by adopting an ensemble modelling approach, specifically the stacking model integrated using Random Forest and XGBoost scheme. Leveraging a diverse dataset encompassing thermal…

Predicting how materials behave under realistic conditions requires understanding the statistical distribution of atomic configurations on crystal lattices, a problem central to alloy design, catalysis, and the study of phase transitions.…

Designing protein mutants of both high stability and activity is a critical yet challenging task in protein engineering. Here, we introduce PRIME, a deep learning model, which can suggest protein mutants of improved stability and activity…

Since the internal temperature is less accessible than surface temperature, there is an urgent need to develop accurate and real-time estimation algorithms for better thermal management and safety. This work presents a novel framework for…

Recently, there has been a growing interest in applying machine learning methods to problems in engineering mechanics. In particular, there has been significant interest in applying deep learning techniques to predicting the mechanical…