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Displaying 1 - 17 of 17
Additive Manufacturing of Magnetic Materials using Functionalized Nanoparticles: Insights from Molecular Dynamics Simulation
Laser powder bed fusion is an additive manufacturing technology involving a gradual build of layers to form a complete ...
IngenieurwissenschaftenMaterialwissenschaft
GPU-Accelerated Solution of Many Small ODE Systems for High-Temperature Component Lifetime Modeling
Predicting the lifetime of components designed for very high temperatures is crucial for improving the efficiency and ...
IngenieurwissenschaftenMaterialwissenschaftInformatik
High-Throughput Design of High Entropy Alloys
The quest for advanced materials that simultaneously exhibit high mechanical hardness and soft magnetic behavior poses a ...
IngenieurwissenschaftenMaterialwissenschaft
Machine-learning Interatomic Potential for High Entropy Half Heusler Materials
Addressing the urgent challenges of the energy crisis and global warming has become imperative. Thermoelectric (TE) ...
IngenieurwissenschaftenMaterialwissenschaft
Micromagnetic Modelling of Hard and Soft Magnetic Materials
Magnetic materials are essential for modern applications, ranging from renewable energy sources to e-mobility. Improving ...
IngenieurwissenschaftenMaterialwissenschaft
Multiple Scattering Theory Simulation for Single-Crystal Fe-Based Compounds and Automated Material Characterization Based on Machine Leaning
Spectroscopy plays a pivotal role in materials science by providing fundamental insights into the composition, structure ...
IngenieurwissenschaftenMaterialwissenschaft
TEM Diffraction Pattern Analysis with Deep Learning Networks
The microstructure of a material strongly influences its properties and must therefore be studied carefully to tailor ...
IngenieurwissenschaftenMaterialwissenschaft-
Atomic Scale Modeling of Coherent Phase Transitions in Energy Storage Materials
Hydrogen has emerged as a crucial element in the pursuit of decarbonization and the transition to a sustainable energy ...
IngenieurwissenschaftenMaterialwissenschaft 
Dislocations for Defect-Based Quantum Computing
A quantum computer is a device that exploits quantum behavior to solve a computational problem that cannot be tackled ...
NaturwissenschaftenPhysik der kondensierten MaterieIngenieurwissenschaftenMaterialwissenschaft
High-Throughput Design Co-based Heusler Alloys as Multi-Functional Magnetic Materials via Substitutional Doping
Heusler alloys are a remarkable class of intermetallic materials with a wide spectrum of intriguing physical properties ...
IngenieurwissenschaftenMaterialwissenschaft
High-Throughput Design of Chalcogenide Materials for Optoelectronic Devices
Optoelectronic materials have attracted significant attention owing to the global energy shortage and environmental ...
IngenieurwissenschaftenMaterialwissenschaft
Interatomic Potentials for Li-Si-O and Si-O-C
To understand and study complex materials at the atomic level, it is essential to be able to calculate forces and ...
IngenieurwissenschaftenMaterialwissenschaft
The Physical Informed Machine Learning Guided Material Design and Characterization
X-ray Absorption Spectroscopy (XAS) is a pivotal technique in material research, requiring numerous sampling points for ...
IngenieurwissenschaftenMaterialwissenschaft
Interatomic Potentials for Amorphous Solids From Second Principles
Metallic glasses (MGs) can be produced by quickly quenching alloy melts. They typically show a higher elastic limit and ...
IngenieurwissenschaftenMaterialwissenschaft
Investigation of Domain Switching Mechanics of Perovskite Ferroelectrics using Molecular Dynamics Simulations
Ferroelectric ceramics with perovskite structure can be used in novel cooling applications based on the electrocaloric ...
IngenieurwissenschaftenVerfahrenstechnik, Technische ChemieMaterialwissenschaft
Reinforcement of High-Entropy Metallic Glasses: A Molecular Dynamics Study
Since their invention in the 1960s, metallic glasses (MGs) gained great attention due to their high strength and elastic ...
IngenieurwissenschaftenMaterialwissenschaft
Understanding the Detrimental Nature of Dislocations in Layered Cathode Active Materials I
Layered transition metal oxides are employed as cathode materials in high-voltage, rechargeable lithium ion batteries ...
IngenieurwissenschaftenMaterialwissenschaft
