Results 211 to 220 of about 1,349,139 (282)

Electrically and mechanically tunable Rashba splitting in SbSeI Janus layer: a density functional theory study. [PDF]

Sci Rep
Kumar A, Sudheer AE, Tejaswini G, Vallinayagam M, Zschornak M, Murali D, Kamal C.   +6 more
europepmc   +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, René Gustus, Lienhard Wegewitz, Wolfgang Maus‐Friedrichs   +3 more
wiley   +1 more source

N‑Heterocyclic Carbene-Ag(I)-Phosphine Complexes: Comprehensive Synthesis, Characterization, and Bonding Analysis via Density Functional Theory. [PDF]

ACS Omega
Neshat A, Yousefshahi MR, Cheraghi M, Eigner V, Dusek M.   +4 more
europepmc   +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, Martha Leach, Hongtao Song, Carolyn Seepersad   +3 more
wiley   +1 more source

Investigating the molecular mechanisms of the "Tianma-Gouteng" herb pair in treating Parkinson's disease: a bioinformatics approach and density functional theory with molecular dynamics simulations validation. [PDF]

Front Bioinform
Zhou L, Fei C, Liu Q.
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, Maik Szafarska, René Gustus, Kai Möhwald, Hans Jürgen Maier   +4 more
wiley   +1 more source

A density functional theory study of tyrosine-proton mediated transport in Ag-filamentary nanodevices. [PDF]

Smart Mol
Berco D.
europepmc   +1 more source

Phenomenological and Physically Based Modeling of Flow Stress and Strengthening Mechanism of Inconel 718

Advanced Engineering Materials, EarlyView.
Nickel‐based alloys are widely used in high‐temperature applications due to their excellent mechanical strength and oxidation resistance. However, properties such as high‐temperature strength and pronounced work‐hardening make them difficult to machine.
Soheil Rooein, Oliver Schenk, Christoph Broeckmann   +2 more
wiley   +1 more source

Oxidation and Chlorination Reaction Characteristics: A Density Functional Theory Perspective toward the Fundamental Understanding of Etching of Ruthenium and Tantalum Surfaces. [PDF]

ACS Omega
Varadwaj PR, Imamura Y, Asahi R.
europepmc   +1 more source