Optoelectronic and photovoltaic assessment of Na<sub>2</sub>ReAlO<sub>6</sub> double perovskite: insights from DFT and SCAPS modeling. [PDF]
Kanwal S +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
First principles and machine learning investigation of structural stability and optoelectronic behavior in A<sub>2</sub>GaAgF<sub>6</sub> (A = Na, K, Rb, Cs) double perovskite solar cells. [PDF]
Shimul AI +6 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
Performance optimization and machine learning-guided parameter sensitivity analysis of lead-free KGeCl<sub>3</sub> perovskite solar cells. [PDF]
Ahamed T +5 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
Optimization of p-SnS/n-CdS heterojunction solar cells <i>via</i> impedance spectroscopy and SCAPS modeling: impact of doping, thickness, and series resistance. [PDF]
Zari R +7 more
europepmc +1 more source
We develop a data‐driven method to derive the mathematical expressions of the Flory–Huggins interaction parameter χ for the swelling behavior of temperature–responsive hydrogels. Starting from initial assumptions of χ, our workflow combines Bayesian optimization, Flory–Rehner theory, and symbolic regression to generate candidate χ expressions.
Yawen Wang +2 more
wiley +1 more source
Dual-band graphene-assisted metamaterial absorber with machine learning integration for high-sensitivity THz biosensing. [PDF]
Gupta S, Gosi VC, Pareek P, Upender P.
europepmc +1 more source
A two‐dimensional multiscale finite element analysis framework was established for the first‐generation MoSiBTiC alloy, and the mechanical and fracture‐related parameters of the constituent phases were calibrated through experiments and simulations. The framework provides a basis for analyzing crack propagation behavior in its complex microstructure ...
Junfeng Du +4 more
wiley +1 more source

