Phase Field Failure Modeling: Brittle‐Ductile Dual‐Phase Microstructures under Compressive Loading
The approach by Amor and the approach by Miehe and Zhang for asymmetric damage behavior in the phase field method for fracture are compared regarding their fitness for microcrack‐based failure modeling. The comparison is performed for the case of a dual‐phase microstructure with a brittle and a ductile constituent.
Jakob Huber, Jan Torgersen, Ewald Werner
wiley +1 more source
Machine learning and free energy clustering reveal PAH protein binding linked to AD risk. [PDF]
Chen C +5 more
europepmc +1 more source
Karl Popper and the Mechanisms of Hydrogen Embrittlement
Representation of the beginning of loss of ductility rather than embrittlement. Small concentrations of hydrogen in a diffusible form within iron are well‐established to harm the mechanical integrity of steels. There are theories that attempt to explain the pernicious role of hydrogen.
H. K. D. H. Bhadeshia
wiley +1 more source
Cognitive fatigue from schema rigidity and entropy externalization: a free energy principle perspective. [PDF]
Ezzedini S.
europepmc +1 more source
Identified through the use of statistical design of experiments and metallographic investigation, this study exposes the stochastic origins of intergranular cracks in blown powder laser beam directed energy deposition additive manufacturing of pure molybdenum. It further demonstrates a successful crack mitigation approach with direct correlation to the
Nathaniel J. Lies +2 more
wiley +1 more source
Development and Test of Highly Accurate End Point Free Energy Methods. 4. Expanding Solvents Capability and logBB Prediction. [PDF]
Niu T, He X, Man VH, Wang X, Wang J.
europepmc +1 more source
Fostering Innovation: Streamlining Magnetocaloric Materials Research by Digitalization
Magnetocaloric cooling (MCE) is an environmentally friendly refrigeration method with great potential. Optimizing MCE materials involves the preparation and screening of large quantities of samples, which in turn generates a large amount of data. A digitalization approach is presented that uses ontologies, knowledge graphs, and digital workflows to ...
Simon Bekemeier +17 more
wiley +1 more source
Repeatability of Relative Free Energy Calculations in Solution with ANI-2x and MACE-OFF23. [PDF]
Tkaczyk S +4 more
europepmc +1 more source
Multimodal Data‐Driven Microstructure Characterization
A self‐consistent autonomous workflow for EBSP‐based microstructure segmentation by integrating PCA, GMM clustering, and cNMF with information‐theoretic parameter selection, requiring no user input. An optimal ROI size related to characteristic grain size is identified.
Qi Zhang +4 more
wiley +1 more source
Integrating Machine Learning into Free Energy Perturbation Workflows. [PDF]
van Pinxteren DJM, Jespers W.
europepmc +1 more source

