Results 71 to 80 of about 150,142 (264)

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

Experimental Characterization and Constitutive Modeling of the Effect of Prior Inelastic Strain on the Viscoplastic Behavior of AD730 at 700 °C

open access: yesAdvanced Engineering Materials, EarlyView.
This study shows that superalloys used in aircraft engine disks become much more prone to deformation at high temperatures if they have been strained during manufacturing. This effect increases with the level of prior strain but eventually reaches a limit.
Fabio Machado Alves da Fonseca   +9 more
wiley   +1 more source

Matrix wavefront reduction by alternating directions of node renumbering

open access: yesComputer Assisted Methods in Engineering and Science, 2023
The paper presents a heuristic method of node renumbering for wavefront reduction of the coefficient matrix of a linear system of equilibrium equations obtained in Finite Element (FEM) or in Finite Difference (FDM) methods for regular rectangular ...
Zdzisław Kurowski
doaj  

Influence of Scan Strategies in Electron Beam Powder Bed Fusion on Solidification, Microstructure, and High‐Temperature Compressive Properties of γ′‐Strengthened Inconel 738LC

open access: yesAdvanced Engineering Materials, EarlyView.
Experiments and thermophysical simulations were conducted to investigate the electron beam powder bed fusion electron beam (PBF‐EB/M) process for the γ′‐strengthened nickel‐based superalloy Inconel 738LC. The results demonstrate the impact of process‐induced microstructural variations on high‐temperature mechanical behavior, providing a basis for ...
Jan Niklas Petenati   +11 more
wiley   +1 more source

On the Iwasawa decomposition of a symplectic matrix

open access: yesApplied Mathematics Letters, 2007
Let \(Sp(n, \mathbb R)=\{S\in SL_{2n}(\mathbb R) : S^tJS=J\}\) be the Lie group of symplectic matrices. The authors present an algorithm for computing the Iwasawa decomposition of a matrix \( Sp(n, \mathbb R)\ni S=KAN\), where \(K\) is compact, \(A\) abelian, and \(N\) nilpotent matrices, via the QR fractorization.
Benzi, Michele, Razouk, Nader
openaire   +2 more sources

rTensor: An R Package for Multidimensional Array (Tensor) Unfolding, Multiplication, and Decomposition

open access: yesJournal of Statistical Software, 2018
rTensor is an R package designed to provide a common set of operations and decompositions for multidimensional arrays (tensors). We provide an S4 class that wraps around the base 'array' class and overloads familiar operations to users of 'array', and we
James Li, Jacob Bien, Martin T. Wells
doaj   +1 more source

Laser‐Induced Graphene from Waste Almond Shells

open access: yesAdvanced Functional Materials, EarlyView.
Almond shells, an abundant agricultural by‐product, are repurposed to create a fully bioderived almond shell/chitosan composite (ASC) degradable in soil. ASC is converted into laser‐induced graphene (LIG) by laser scribing and proposed as a substrate for transient electronics.
Yulia Steksova   +9 more
wiley   +1 more source

Mean-field density matrix decompositions [PDF]

open access: yesThe Journal of Chemical Physics, 2020
We introduce new and robust decompositions of mean-field Hartree–Fock and Kohn–Sham density functional theory relying on the use of localized molecular orbitals and physically sound charge population protocols. The new lossless property decompositions, which allow for partitioning one-electron reduced density matrices into either bond-wise or atomic ...
openaire   +3 more sources

Counterion Dependent Side‐Chain Relaxation Stiffens a Chemically Doped Thienothiophene Copolymer

open access: yesAdvanced Functional Materials, EarlyView.
Oxidation of a thienothiophene copolymer, p(g3TT‐T2), via different doping strategies and dopant molecules resulted in materials with similar oxidation levels and a high electrical conductivity of ≈100 S cm−1. However, mechanical properties varied significantly, with sub‐glass transition temperatures and elastic moduli spanning from –44°C to –3°C and ...
Mariavittoria Craighero   +12 more
wiley   +1 more source

Liquid Phase Transmission Electron Microscopy: A Window into the Early Stages of Complex Material Formation

open access: yesAdvanced Functional Materials, EarlyView.
Liquid‐phase transmission electron microscopy enables direct observation of nucleation and growth processes in solution. This review is dedicated to the remembrance of Helmut Cölfen and highlights recent studies on complex materials—oxides, biominerals, organic–inorganic crystals—which were central to his research activity. It summarizes key milestones,
Charles Sidhoum   +5 more
wiley   +1 more source

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