Results 161 to 170 of about 1,063,587 (296)

Combining Density Functional Embedding Theory and DMRG-NEVPT2 to Treat Large Active Spaces: Addressing Electronic Structure Complexity in Single-Atom Alloys. [PDF]

J Chem Theory Comput
Hutchison P, Wei Z, Carter EA.
europepmc   +1 more source

Characterization of Defect Distribution in an Additively Manufactured AlSi10Mg as a Function of Processing Parameters and Correlations with Extreme Value Statistics

Advanced Engineering Materials, EarlyView.
Predicting extreme defects in additive manufacturing remains a key challenge limiting its structural reliability. This study proposes a statistical framework that integrates Extreme Value Theory with advanced process indicators to explore defect–process relationships and improve the estimation of critical defect sizes. The approach provides a basis for
Muhammad Muteeb Butt, Varma Kvvssn, Hossein Laieghi, Zia Uddin, Peyman Ansari, E. Kıvanç Sadak, Can Barış Toprak, Hüseyin Kızıl, Enrico Salvati   +8 more
wiley   +1 more source

Generalization bounds for a generator-regularized InfoGAN-inspired adversarial objective. [PDF]

Front Artif Intell
Hasan M, Muia MN, Islam MM.
europepmc   +1 more source

Harnessing Fungal Biowelding for Constructing Mycelium‐Engineered Materials

Advanced Engineering Materials, EarlyView.
Mycelium‐bound composites (MBCs) offer low‐carbon alternatives for construction, yet interfacial bonding remains a critical challenge. This review examines fungal biowelding as a biocompatible adhesive, elucidating mycelium‐mediated interfacial mechanisms and their role in material assembly. Strategies to optimize biowelding are discussed, highlighting
Xue Brenda Bai, Xinrui Sarah Niu, Zhao Qin   +2 more
wiley   +1 more source

User-Defined Electrostatic Potentials in DFT Supercell Calculations: Implementation and Application to Electrified Interfaces. [PDF]

J Chem Theory Comput
Mattoso S, Yang J, Deißenbeck F, Abdelkawy A, Freysoldt C, Wippermann S, Todorova M, Neugebauer J.   +7 more
europepmc   +1 more source

molgw 1: Many-body perturbation theory software for atoms, molecules, and clusters

Computer Physics Communications, 2016
F. Bruneval, T. Rangel, Samia M. Hamed, Meiyue Shao, Chao Yang, J. Neaton   +5 more
semanticscholar   +1 more source

Enabling Digital Continuity in Virtual Manufacturing for Eco‐Efficiency Assessment of Lightweight Structures by Means of a Domain‐Specific Structural Mechanics Language: Requirements, Idea and Proof of Concept

Advanced Engineering Materials, EarlyView.
This article presents a solver‐agnostic domain‐specific language (DSL) for computational structural mechanics that strengthens interoperability in virtual product development. Using a hierarchical data model, the DSL enables seamless exchange between diverse simulation tools and numerical methods.
Martin Rädel, Andreas Schuster, Felix Schoenitz, Jean Lefèvre   +3 more
wiley   +1 more source

A Survey of Lattice-Based Physical-Layer Security for Wireless Systems with <i>p</i>-Modular Lattice Constructions. [PDF]

Entropy (Basel)
Khodaiemehr H, Bagheri K, Mohajer A, Feng C, Panario D, Leung VCM.   +5 more
europepmc   +1 more source

Compressible Flow Exfoliation of Two‐Dimensional Nanomaterials: Insights Into Layer Separation Informed by Gas Dynamics

Advanced Engineering Materials, EarlyView.
This study elucidates the mechanism of compressible flow exfoliation for producing 2D hexagonal boron nitride (h‐BN). Fluid dynamics analysis reveals that acceleration‐driven aerodynamic shear forces, rather than shock waves alone, drive effective layer separation.
Md Farhadul Islam, Saeed Arabha, Ray Hixon, Reza Rizvi   +3 more
wiley   +1 more source

Convex Hartree-Fock theory for modeling ground state conical intersections. [PDF]

Commun Chem
Rossi F, Koch H.
europepmc   +1 more source