Results 181 to 190 of about 156,250 (254)
Advanced Engineering Materials, EarlyView.A numerical model resulting from irreversible thermodynamics for describing transport processes is introduced, focusing on thermodynamic activity gradients as the actual driving force for diffusion. Implemented in CUDA C++ and using CalPhaD methods for determining the necessary activity data, the model accurately simulates interdiffusion in aluminum ...
Ulrich Holländer +3 more
wiley +1 more source
Environmental Effects with Frozen-Density Embedding in Real-Time Time-Dependent Density Functional Theory Using Localized Basis Functions. [PDF]
J Chem Theory Comput, 2020 De Santis M +6 more
europepmc +1 more source
Advanced Engineering Materials, EarlyView.A numerical–experimental framework is developed for characterizing multi‐matrix fiber‐reinforced polymers (MM‐FRPs) combining epoxy and polyurethane matrices. Harmonic bending tests are integrated with finite element model updating (FEMU) to simultaneously identify elastic and viscoelastic material parameters.
Rodrigo M. Dartora +4 more
wiley +1 more source
Handbook of Establishing and Maintaining Oxygen‐Free Atmospheres
Advanced Engineering Materials, EarlyView.This study presents a practical framework for creating oxygen‐free atmospheres at ambient pressure using silane‐doped inert gases. The results show that ultra‐low oxygen levels and strongly reduced water content can be achieved through controlled silane dosing, drying systems, and sensor monitoring.
Sascha Jan Zimmermann +3 more
wiley +1 more source
Additive Gaussian Process Regression for Predictive Design of High‐Performance, Printable Silicones
Advanced Engineering Materials, EarlyView.A chemistry‐aware design framework for tuning printable polydimethylsiloxane (PDMS) for vat photopolymerization (VPP) is developed using additive Gaussian process (GP) modeling. Polymer network mechanics informs variable groupings, feasible formulation constraints, and interaction variables.
Roxana Carbonell +3 more
wiley +1 more source
Combining Graphics Processing Units, Simplified Time-Dependent Density Functional Theory, and Finite-Difference Couplings to Accelerate Nonadiabatic Molecular Dynamics. [PDF]
J Phys Chem Lett, 2020 Peters LDM, Kussmann J, Ochsenfeld C.
europepmc +1 more source
Oxide‐Free Titanium Coatings by Wire Arc Spraying in a Silane‐Doped Inert Atmosphere
Advanced Engineering Materials, EarlyView.A silane‐doped argon atmosphere enables the production of oxide‐free titanium coatings via twin‐wire arc spraying at ambient pressure. This innovative approach eliminates residual oxygen, creating process conditions that prevent oxidation and nitride formation.
Manuel Rodriguez Diaz +4 more
wiley +1 more source
Quantum Electrodynamical time-dependent density functional theory
, 2017 The last two decades have witnessed increasing experimental interest in the study and control of many-electron systems strongly interacting with quantum electromagnetic fields. This includes notable experiments in the areas of cavity and circuit quantum electrodynamics, quantum computing via photon mediated atom entanglement, electromagnetically ...
openaire +2 more sources
Setup‐Optimized Sequencing in Job Shops: Modeling Workstation Productivity and Lateness Behavior
Advanced Engineering Materials, EarlyView.Setup‐optimized sequencing in job‐shop production creates a trade‐off between productivity improvement and schedule reliability. A WIP‐explicit modeling framework links sequencing‐induced productivity gains and lateness dispersion through the production operating curve.
Friederike Stefanowski +2 more
wiley +1 more source