Results 71 to 80 of about 4,338 (236)
Advanced Science, EarlyView.Phase‐resolved experiments and atomistic simulations reveal asynchronous ordering behaviors in a eutectic high‐entropy alloy during isothermal annealing. Distinct defect transport mechanisms are identified in coexisting B2 and BCC phases, showing that vacancy and interstitial mediated diffusion governs phase‐dependent thermal stability.
Huiwen Yao +5 more
wiley +1 more source
Entropy Decoding the Fundamental Law of Phase Competition in Glass Formation
Advanced Science, EarlyView.We validate the integration of intermetallic and eutectic phases as initial phases for composition design. The phase competition mechanism in glass formation is quantitatively clarified based on the melting entropy of competing phases. Glass‐forming ability is modulated by tuning phase competition via the melting entropy of initial phases.
Benke Huo +7 more
wiley +1 more source
Including state-of-the-art physical understanding of thermal vacancies in Calphad models
Scientific Reports, 2022 A physically sound thermochemical model accounting for explicit thermal vacancies in elements and alloys is presented. The model transfers the latest theoretical understanding of vacancy formation into the Calphad formalism where it can extend currently ...
A. Obaied, I. Roslyakova, M. To Baben
doaj +1 more source
Advanced Science, EarlyView.This paper illustrates a knowledge‐augmented dual‐track AI framework for advanced superalloy design. First, Large Language Models translate metallurgical heuristics into explicit rules to rapidly prune a vast compositional search space. Subsequently, LLM‐distilled priors safely guide a reinforcement learning agent during autonomous process optimization,
Jian Yao +9 more
wiley +1 more source
Application of Machine Learning in Heat Treatment Process Design of Carburized Steel
Materials Genome Engineering Advances, EarlyView.To accelerate heat treatment design, we constructed a closed‐loop machine learning strategy involving multi‐source datasets and feature screening. The optimized model accurately predicts hardness and friction coefficients, successfully guiding the process optimization for two typical carburized steels with high experimental consistency.
Di Jiang +5 more
wiley +1 more source
On the use of Boltzmann's transformation to solve diffusion problems
, 2021 The use of Boltzmann & rsquo;s transformation to numerically solve diffusion problems using CALPHAD databases is discussed and illustrated with examples.
Larsson, Henrik,
core +1 more source
The materials genome and CALPHAD
Chinese Science Bulletin, 2014 The mapping of the human genome is an important basis for the development of new medicals and medical treatments. Consequently, it has attracted tremendous research funding over the last decade. On June 2011, the Materials Genome Initiative was announced by the US President Obama as collaboration on modeling and advanced materials databases ...
openaire +1 more source
Materials Genome Engineering Advances, EarlyView.A symbolic regression approach (SISSO) with physics‐informed feature engineering achieves high‐accuracy prediction of magnetic properties in Cu‐based alloys under data‐scarce conditions. The framework offers an interpretable and transferable strategy for accelerated alloy design.
Buyang Ma +6 more
wiley +1 more source
Using Thermodynamics and Microstructure to Mitigate Overfitting in Pellet Reduction Models
steel research international, EarlyView.A in time and space discretized, thermodynamically sound model for direct reduction of iron oxide pellets is described. The number of fitting parameters is drastically reduced compared to existing models. Nevertheless, fitting kinetic parameters based on conversion degree data alone leads to overfitting, which can be mitigated by correlating the ...
Ömer K. Büyükuslu +4 more
wiley +1 more source