Toward Full Interoperability in Materials Science: Integrating Workflows With Knowledge Graphs
The connection of conceptual workflow design, portable execution, and ontology‐based semantics leading to provenance‐rich knowledge graphs are main contributors to interoperability in materials science and a prerequisite to AI‐assisted orchestration and for interoperable Materials Acceleration Platforms.
Jan Janssen +14 more
wiley +1 more source
RDX Kinetic Model Evaluation by Nth Order Kinetic Algorithms and Model Simulations
[[abstract]]A kinetic model based on the thermal decomposition of 1,3,5-trinitro-1,3,5-triazmane (RDX) was constructed via differential scanning calorimetry (DSC), well-known kinetic equations, curve-fitting analysis, and simulations of thermal analysis.
Lung Chang Tsai;Jian Ming Wei;Yung Chuan Chu;Wei Ting Chen;Fang Chang Tsai;Chi Min Shu;Chun Ping Lin
core
FastNano Liquid: An Automated Platform for Small‐Angle X‐ray Scattering‐Based Materials Discovery
We present FastNano Liquid, an automated small‐ and wide‐angle X‐ray scattering platform for the combined synthesis and characterization of (nano)materials. The platform is coupled to varied reactor workflows for both in situ studies of reaction kinetics and ex situ screening of synthesis conditions to support machine learning‐guided exploration ...
Pierre‐Baptiste Flandrin +16 more
wiley +1 more source
A Multi‐Scale Machine Learning Framework for the Inverse Design of High Entropy Alloys
High‐entropy alloys offer vast potential for various applications, including electrocatalysis; however, their compositional complexity challenges conventional screening. We introduce an inverse‐design framework combining two neural networks to determine optimal compositions and reconstruct nanoparticle geometry from targeted properties and conventional
Mikael Takoutsin +14 more
wiley +1 more source
Demo 16-03 Temperature Increase Simulation
Using small metal spheres to represent the atoms of a gas, the molecular motion of a gas can be simulated. As the kinetic energy of the "molecules" is increased, the "temperature" is increased, as simulated using the apparatus shown in Figure ...
core
Biomass Native Structure Into Functional Carbon‐Based Catalysts for Fenton‐Like Reactions
This study indicates that eight biomasses with 2D flaky and 1D acicular structures influence surface O types, morphology, defects, N doping, sp2 C, and Co nanoparticles loading in three series of carbon, N‐doped carbon, and cobalt/graphitic carbon. This work identifies how these structural factors impact catalytic pathways, enhancing selective electron
Wenjie Tian +7 more
wiley +1 more source
Spatially Modulated Morphotropic Phase Boundaries in a Compressively Strained Multiferroic Thin Film
ABSTRACT The coexisting rhombohedral‐like (R′, MA) and tetragonal‐like (T′, MC) monoclinic phases in compressively strained bismuth ferrite thin films exhibit exceptional piezoelectric and magnetic properties. While previous studies have largely focused on probing the morphotropic phase boundaries (MPBs) comprising ordered R′/T′ twins, their self ...
Ting‐Ran Liu +7 more
wiley +1 more source
Historical Foundation and Practical Guideline for Ferroelectric Switching Kinetic Studies
The P and U pulses in the conventional PUND measurements are not identical because of the interplay between switching current and the measurement circuit components. This circuit effect can lead to a shift in polarization transients and misinterpreted physics in the switching kinetics.
Yi Liang, Pat Kezer, John T. Heron
wiley +1 more source
Bio‐Inspired Synthesis of Macroporous Single Crystal Particles as Scattering Agents
A general strategy is presented that delivers unique, single‐crystal microparticles that combine submicron macroporosity and uniform particle shapes. A bioinspired approach is used to occlude three distinct types of additives – polystyrene microspheres, polymer vesicles and amino acids – within calcite single crystals, and subsequent thermal annealing ...
Stephanie E. Foster +11 more
wiley +1 more source
Electrospun Wood‐Derived Biopolymers as Electrodes in Electrochemical Energy Storage Technologies
Electrospinning transforms wood‐derived cellulose and lignin into architecturally defined, binder‐free carbon electrodes with tuneable porosity and functionality. This review shows how fibre design enables decoupled charge and mass transport, enhancing performance across battery systems, while identifying key challenges in spinnability, scalability ...
Michael W. Thielke +3 more
wiley +1 more source

