Data-Driven Approaches to Understand the Economic and Environmental Impacts of Fluid Catalytic Cracking Catalyst Performance for Plastic Upcycling. [PDF]
Dubey P +6 more
europepmc +1 more source
A simplified thermoplastic pultrusion model is developed to predict thermal fields in glass fiber/polyethylene terephthalate (GF/PET) composites with reduced computational cost. By combining effective material homogenization, validation against literature data, and Gaussian‐process‐based optimization, the study reveals how heating limits, pulling speed,
Elder Soares +3 more
wiley +1 more source
Composing drug delivery with light distribution improvement: the use of dissolving microneedles in skin cancer with photodynamic therapy. [PDF]
Requena MB +4 more
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
Unveiling the role of local temperature gradients in individual zeolites containing metal active sites. [PDF]
Zhao B +10 more
europepmc +1 more source
Building machine‐readable vocabularies for materials science is slow, expert‐driven work. This study benchmarks 13 large language models on two of its first steps: finding candidate terms in engineering articles and deciding where they belong in a class hierarchy.
Thomas Bjarsch +3 more
wiley +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
Physics-Guided Solutions to Dispersion in Density-Functional Theory [PDF]
Density-functional theory (DFT) has become the workhorse of modern computational chemistry, enabling first-principles modelling of large-scale systems with remarkable accuracy and efficiency.
Bryenton, Kyle
core
Physics-Informed Modified Kolmogorov-Arnold Network for CO Concentration Prediction in Gob Areas of Coal Spontaneous Combustion. [PDF]
Li Z, Hou J, Han L, Wang X.
europepmc +1 more source

