Results 151 to 160 of about 915,995 (314)

Electronic and optical properties of FeS2 and CoS2

open access: yes, 1998
We have used the linear muffin-tin orbital method, without geometrical constraints on the electron density or potential, to calculate the electronic structure of FeS2 and CoS2.
Johansson, E,, Ahuja, R,, Eriksson, O,
core  

PASTA‐ELN: Simplifying Research Data Management for Experimental Materials Science

open access: yesAdvanced Engineering Materials, EarlyView.
Research data management faces ongoing hurdles as many ELNs remain complex and restrictive. PASTA‐ELN offers an open‐source, cross‐platform solution that prioritizes simplicity, offline access, and user control. Its in tuitive folder structure, modular Python add‐ons, and open formats enable seamless documentation, FAIR data practices, and easy ...
S. Brinckmann, G. Winkens, R. Schwaiger
wiley   +1 more source

Electronic and Optical properties of Hexathiapentacene within TD(DFT) schemes

open access: yes, 2014
Electronic and Optical properties of Hexathiapentacene within TD(DFT ...
Malloci, G.   +2 more
core  

Recycling of NiTi Shape Memory Alloys: Fundamental and Technological Aspects of a Vacuum Induction Melting Processing Route

open access: yesAdvanced Engineering Materials, EarlyView.
The present study investigates recycling of NiTi shape memory alloys via vacuum induction melting. An ingot was synthesized from elemental Ni and Ti and subjected to three subsequent remelting cycles. Remelting increases process durations and impurity levels and adversely affects microstructures and functional properties.
Sakia Sophia Noorzayee   +7 more
wiley   +1 more source

Workflow for Design of Experiments‐Based Modeling of Species Transport and Growth Kinetics in GaN Hydride Vapor Phase Epitaxy

open access: yesAdvanced Engineering Materials, EarlyView.
A novel workflow for investigating hydride vapor phase epitaxy for GaN bulk crystal growth is proposed. It combines Design of experiments (DoE) with physical simulations of mass transport and crystal growth kinetics, serving as an intermediate step between DoE and experiments.
J. Tomkovič   +7 more
wiley   +1 more source

Quantum Confinement and Electronic Properties of Rutile TiO2 Nanowires

open access: yes, 2008
The quantum confinement effect, electronic properties, and optical properties of TiO2 nanowires in rutile structure are investigated via first-principles calculations.
Li JB   +2 more
core  

Soft Mechanical‐Electrical Logic Using Liquid Metal‐Filled 3D‐Printed Architectures

open access: yesAdvanced Engineering Materials, EarlyView.
We present 3D‐printed soft mechanical–electrical logic elements that use liquid metal–filled silicone tubes actuated by thermoplastic polyurethane/polylactic acid (TPU/PLA) architectures to produce Boolean operations. Complementary normally open and normally closed unit cells perform repeatable binary transitions and can be combined into more complex ...
Christoph Lehmann   +2 more
wiley   +1 more source

Analysis of Structural Electronic and Vibrational Properties of Two Dimensional Silicon Carbide

open access: yes, 2018
This thesis is submitted to the Department of Electrical and Electronic Engineering, Khulna University of Engineering & Technology in partial fulfillment of the requirements for the degree of Master of Science in Electrical and Electronic Engineering ...
Islam, Md. Rasidul
core  

Toward Knowledge‐Based Workflows: A Semantic Approach to Atomistic Simulations for Mechanical and Thermodynamic Properties

open access: yesAdvanced Engineering Materials, EarlyView.
Knowledge‐based atomistic workflows are presented for mechanical and thermodynamic properties. By coupling modular simulations with ontology‐aligned metadata and provenance, Fe case studies on elastic behavior, defects, thermal properties, and Hall–Petch strengthening reveal how FAIR, queryable, and reusable simulation data can be generated. Mechanical
Abril Azócar Guzmán   +5 more
wiley   +1 more source

Cathodic Cage Plasma Deposition of Nanostructured Cu–Fe–Se Coatings on Poly(methyl Methacrylate)

open access: yesAdvanced Engineering Materials, EarlyView.
Nanostructured Cu–Fe–Se coatings are deposited on PMMA by a modified cathodic cage plasma process, enabling low‐temperature deposition on polymer substrates. A transition from discontinuous to compact morphology is observed with temperature, with optimal properties at 200°C, where improved CuFeSe2‐type bonding, lowest sheet resistance, and favorable ...
V. S. S. Sobrinho   +8 more
wiley   +1 more source

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