Results 81 to 90 of about 2,981,303 (285)

Ontology‐Aligned Structuring and Reuse of Multimodal Materials Data and Workflows Toward Automatic Reproduction

Advanced Engineering Materials, EarlyView.
Reproduction of stacking fault energy calculations from literature with a semi‐automated large language model‐assisted extraction procedure: extraction of simulation protocol, atomistic structures, computational parameters, and reported results, ontology alignment, knowledge graph construction and, finally, recomputation forvalidation.
Sepideh Baghaee Ravari, Abril Azocar Guzman, Sarath Menon, Stefan Sandfeld, Tilmann Hickel, Markus Stricker   +5 more
wiley   +1 more source

On Shift-Dependent Cumulative Entropy Measures

International Journal of Mathematics and Mathematical Sciences, 2016
Measures of cumulative residual entropy (CRE) and cumulative entropy (CE) about predictability of failure time of a system have been introduced in the studies of reliability and life testing.
Farsam Misagh
doaj   +1 more source

Machine Learning‐Supported Analysis for Predicting and Visualizing Nonlinear Relationships Between Material Properties in Electroplated Chromium Layers

Advanced Engineering Materials, EarlyView.
This study applies machine learning regression to predict chromium layer thickness in decorative trivalent chromium electroplating, using 441 experiments from laboratory‐scale (1L) and pilot‐scale (14L) setups. Tree‐based models, particularly CatBoost, outperformed linear regression by capturing nonlinear parameter interactions (R2$R^2$ up to 0.77 ...
Christoph Baumer, Christopher Mai, Luca Eisentraut, Andreas Bund, Ricardo Buettner   +4 more
wiley   +1 more source

Triple Junctions as Dislocation‐Like Defects: The Role of Grain Boundary Crystallography Revealed by Experiment and Atomistic Simulation

Advanced Engineering Materials, EarlyView.
Grain boundary triple junctions are an essential ingredient of the microstructure of polycrystalline materials. In this study, a triple junction is observed using atomic‐resolution scanning transmission electron microscopy and characterized. Computer simulations reveal that the junction has a dislocation character that is determined by the joining ...
Tobias Brink, Saba Saood, Peter Schweizer, Jörg Neugebauer, Gerhard Dehm   +4 more
wiley   +1 more source

KINETIC STUDIES USING SEMI-EMPIRICAL SELF- CONSISTENT FIELD (SCF) MOLECULAR ORBITAL (MO) METHOD: PARTI. A MODIFIED NEGLECT OF DIATOMIC OVERLAP (MNDO) STUDY OF THE PYROLYSIS OF ETHYL VINYL ETHER [PDF]

Journal of Sciences, Islamic Republic of Iran, 1990
Using a computer code called MOPAC, an acronym for a general Molecular Orbital Package (Quantum Chemistry Programme Exchange (QCPE) Programme No. 455), the geometries and heats of formation of the reactant, the products and the trdnsition state were ...
doaj  

Activation entropy of dislocation glide in body-centered cubic metals from atomistic simulations

Nature Communications
The activation entropy of dislocation glide, a key process controlling the strength of many metals, is often assumed to be constant or linked to enthalpy through the empirical Meyer-Neldel law-both of which are simplified approximations.
Arnaud Allera, Thomas D. Swinburne, Alexandra M. Goryaeva, Baptiste Bienvenu, Fabienne Ribeiro, Michel Perez, Mihai-Cosmin Marinica, David Rodney   +7 more
doaj   +1 more source

The generalized Gompertz-G family of distributions: Properties, estimation, and applications to milk production and phosphorous concentration data

Scientific African
This paper introduces an advanced framework for modeling heterogeneous lifetime data through the development of the generalized Gompertz-G (GGG) family of distributions.
Lucky Nyathi, Regent Retrospect Musekwa, Precious Mdlongwa   +2 more
doaj   +1 more source

A Practical Noise2Noise Denoising Pipeline for High‐Throughput Raman Spectroscopy

Advanced Engineering Materials, EarlyView.
A lightweight and reproducible denoising pipeline for high‐throughput Raman spectroscopy is introduced, based on a 1D convolutional autoencoder trained with a Noise2Noise strategy. Using only repeated short‐exposure acquisitions, the method suppresses stochastic noise without reference spectra, enabling reliable spectral reconstruction while preserving
David Martin‐Calle, Cesar Alvarez‐Llamas, Vincent Motto‐Ros, Christophe Dujardin, Jérémie Margueritat, David Rodney   +5 more
wiley   +1 more source

Empirical estimation of entropy functionals with confidence

, 2010
Version 3 changes : Additional results on bias correction factors for specifically estimating Shannon and Renyi entropy in Section ...
Sricharan, Kumar, Raich, Raviv, Hero III, Alfred O.   +2 more
openaire   +2 more sources

Spectrum sensing using empirical mode decomposition and relative entropy

2013 21st Signal Processing and Communications Applications Conference (SIU), 2013
Recently, as many new wireless services emerge, number of the users needing to access the limited frequency spectrum is increased. This brings the need for improvements on efficient spectrum utilization. Cognitive Radio (CR) is proposed as a solution to this problem. Spectrum sensing is an essential component of CR to increase spectrum usage efficiency.
Cengiz Bektas, Aydin Akan, Sedef Kent, Süleyman Baykut   +3 more
openaire   +2 more sources