Results 81 to 90 of about 35,918 (305)
Design and Assessment of an Austenitic Stainless Alloy for Laser Powder Bed Additive Manufacturing
Applied SciencesRecent developments in metallic additive manufacturing (AM) processes for the production of high-performance industrial pieces have been hampered by the limited availability of reliably processable or printable alloys. To date, most of the alloys used in
Mariam Assi +4 more
doaj +1 more source
Error Mitigation for Thermodynamic Computing
CoRR17 pages, 8 ...
Maxwell Aifer +5 more
openaire +2 more sources
Lix@C60: Calculations of the Encapsulation Energetics and Thermodynamics
, 2008 Li@C60 and Li@C70 can be prepared and thus, their calculations at higher levels of theory are also of interest. In the report, the computations are carried out on Li@C60, Li2@C60 and Li3@C60 with the B3LYP density-functional theory treatment in the ...
Filip Uhlík +4 more
core +1 more source
Thermodynamically consistent data-driven computational mechanics [PDF]
, 2018 In the paradigm of data-intensive science, automated, unsupervised discovering of governing equations for a given physical phenomenon has attracted a lot of attention in several branches of applied sciences.
CHINESTA SORIA, Francisco +6 more
core +1 more source
Role of Intrinsic Electron Trapping in Negative Charging of Amorphous Alumina
Advanced Functional Materials, EarlyView.Intrinsic electron trapping in amorphous Al2O3 is examined using hybrid‐DFT models spanning a wide density range. Both spontaneous and thermally activated trapping are identified, with pronounced spontaneous localization in dense, partly crystallized structures.
Jack W. Strand +5 more
wiley +1 more source
REM: International Engineering JournalThis study focuses on the viscosity calculation of molten slags using computational thermodynamics. Different slag systems and their measured viscosities from different references were used and compared with those obtained through FactSage software.
Vinicius Cardoso da Rocha +3 more
doaj +1 more source
Energy, entropy and work in computational ecosystems: a thermodynamic account
, 2008 Recently, computer scientists have begun to build computational ecosystems in which multiple autonomous agents interact locally to achieve globally efficient organised behaviour. Here we present a thermodynamic interpretation of these systems.
Jacyno, Mariusz, Bullock, Seth
core
Polymer Interface Enables Reversible Quasi‐Solid Sulfur Conversion in Sodium‐Sulfur Batteries
Advanced Functional Materials, EarlyView.The polymer interface enables a stable quasi‐solid sulfur conversion pathway in room‐temperature Na─S batteries. The coating regulates Na+ transport, stabilizes the cathode–electrolyte interphase, and accommodates mechanical stress, suppressing electrolyte decomposition and sulfur migration, thereby improving reaction uniformity, reducing polarization,
Reza Andaveh +12 more
wiley +1 more source
Advanced Functional Materials, EarlyView.Significant nanoscale oxygen diffusion coefficient variations are measured in ferroelectric hafnium zirconium oxide films with grain boundaries and electrode interfaces exhibiting values 104 times larger than the grain cores. Overall coefficients are 10X larger for films prepared with metal nitride electrodes compared to refractory metals. New insights
Liron Shvilberg +6 more
wiley +1 more source
, 2016 A theoretical-computational approach is presented to characterize the temperature-dependent thermodynamics of protein folding. Making use of the Quasi-Gaussian Entropy (QGE) theory and temperature exchanged molecular dynamics (TREMD) simulations, a ...
Amadei, Andrea +4 more
core +1 more source