Results 181 to 190 of about 17,712,238 (346)

Computational design of metallohydrolases. [PDF]

Nature
Kim D, Woodbury SM, Ahern W, Tischer D, Kang A, Joyce E, Bera AK, Hanikel N, Salike S, Krishna R, Yim J, Pellock SJ, Lauko A, Kalvet I, Hilvert D, Baker D.   +15 more
europepmc   +1 more source

NFDI MatWerk Ontology (MWO): A BFO‐Compliant Ontology for Research Data Management in Materials Science and Engineering

Advanced Engineering Materials, EarlyView.
This article presents the NFDI‐MatWerk Ontology (MWO), a Basic Formal Ontology‐based framework for interoperable research data management in materials science and engineering (MSE). Covering consortium structures, research data management resources, services, and instruments, MWO enables semantic integration, Findable, Accessible, Interoperable, and ...
Hossein Beygi Nasrabadi, Ebrahim Norouzi, Kostiantyn Hubaiev, Jörg Waitelonis, Harald Sack   +4 more
wiley   +1 more source

Computational design of generalist cyclopropanases with stereodivergent selectivity. [PDF]

Nat Commun
Shen Z, Siriboe MG, Ren X, Dayananda T, Jenkins JL, Khare SD, Fasan R.   +6 more
europepmc   +1 more source

A Thermodynamic 3D Model for the Simulation of Diffusion‐Controlled Alloying Processes in Heterogeneous Material Structures

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, Leonhard Holländer, André Langohr, Hans Jürgen Maier   +3 more
wiley   +1 more source

Computational design of functional random heteropolymers through atomistic simulations. [PDF]

PLoS One
Jin T, Lung CS, Xu T, Coley CW, Alexander-Katz A.   +4 more
europepmc   +1 more source

EBSD Study of Creep‐Induced Lattice Misorientation in MgO‐Particle‐Reinforced Austenitic Steel Composites

Advanced Engineering Materials, EarlyView.
Creep experiments at 900°C on coarse‐grained steel‐ceramic composites containing recycled magnesia reveal that higher ceramic volume fractions significantly enhance the creep resistance. Detailed EBSD investigations identify subgrain formation in the steel matrix as the dominant deformation mechanism.
Moritz Müller, Amaya Compart, Mahnaz Mehdizadehlima, Serhii Yaroshevskyi, Christos G. Aneziris, Horst Biermann, Anja Weidner   +6 more
wiley   +1 more source

Computational design of dynamic biosensors for emerging synthetic opioids. [PDF]

Nat Commun
Leonard AC, Lenert-Mondou C, Chayer R, Swift S, Baumer ZT, Delaney R, Friedman AJ, Robertson NR, Seder N, Wells J, Whitmore LM, Cutler SR, Shirts MR, Wheeldon I, Whitehead TA.   +14 more
europepmc   +1 more source

Al–Cu Composite Casting of Laser‐Deoxidized Copper: Bonding, Interfacial Chemistry, and Thermal Conductivity

Advanced Engineering Materials, EarlyView.
This study investigates laser‐based oxide removal of Cu inserts in oxygen‐free conditions and examines long‐term oxidation kinetics and surface chemistry under different atmospheres via X‐ray photoelectron spectroscopy. Al–Cu compound casting with differently oxidized surfaces is performed, and intermetallic phase formation, morphology, and thermal ...
Timon Steinhoff, Finn‐Lennard Janthur, Sascha Zimmermann, Sarah Seffer, Jörg Hermsdorf, René Gustus, Ludger Overmeyer, Wolfgang Maus‐Friedrichs, Hans Jürgen Maier, Christian Klose   +9 more
wiley   +1 more source

Computational design of foldable origami-based compressive ultrasound sensing. [PDF]

Sci Rep
Hochuli N, Wünsch T, Li W, Han X, Razansky D, Stanković T, Estrada H.   +6 more
europepmc   +1 more source

Computer Design [PDF]

Nature, 1961
openaire   +1 more source