Results 101 to 110 of about 371,806 (272)

High-order ALE gas-kinetic scheme with unstructured WENO reconstruction

, 2019
In this paper, a high-order multi-dimensional gas-kinetic scheme is presented for both inviscid and viscous flows in arbitrary Lagrangian-Eulerian (ALE) formulation.
Pan, Liang, Xu, Kun, Zhao, Fengxiang
core   +1 more source

Benchmarking Large Language Models for Polymer Property Predictions

Macromolecular Rapid Communications, EarlyView.
Large language models (LLMs) are fine‐tuned on polymer thermal property datasets to directly predict glass transition, melting, and decomposition temperatures from SMILES inputs. Compared to state‐of‐the‐art models such as Polymer Genome, polyGNN, and polyBERT, LLMs achieve competitive yet lower accuracy.
Sonakshi Gupta, Akhlak Mahmood, Shivank Shukla, Rampi Ramprasad   +3 more
wiley   +1 more source

Employment of artificial intelligence approach for optimizing the solubility of drug in the supercritical CO2 system

Case Studies in Thermal Engineering
This paper investigates the solubility behavior of digitoxin in supercritical carbon dioxide (CO2) through a comprehensive analysis employing ensemble learning techniques and various regression models.
Meixiuli Li, Wenyan Jiang, Shuang Zhao, Kai Huang, Dongxiu Liu   +4 more
doaj   +1 more source

Structural Modeling of Djenkolic Acid with Sulfur Replaced by Selenium and Tellurium

Molecules, 2014
The comparative structural modeling of djenkolic acid and its derivatives containing selenium and tellurium in chalcogen sites (Ch = Se, Te) has provided detailed information about the bond lengths and bond angles, filling the gap in what we know about ...
Petr Melnikov, Valter A. Nascimento, Anderson F. Silva, Lourdes Z. Z. Consolo   +3 more
doaj   +1 more source

A highly accurate numerical method for solving boundary value problem of generalized Bagley‐Torvik equation

Mathematical Methods in the Applied Sciences, EarlyView.
A highly accurate numerical method is given for the solution of boundary value problem of generalized Bagley‐Torvik (BgT) equation with Caputo derivative of order 0<β<2$$ 0<\beta <2 $$ by using the collocation‐shooting method (C‐SM). The collocation solution is constructed in the space Sm+1(1)$$ {S}_{m+1}^{(1)} $$ as piecewise polynomials of degree at ...
Suzan Cival Buranay, Mtema James Chin, Nazim I. Mahmudov   +2 more
wiley   +1 more source

Linear Toroidal‐Inertial Waves on A Differentially Rotating Sphere with Application to Helioseismology: Modeling, Forward and Inverse Problems

Mathematical Methods in the Applied Sciences, EarlyView.
ABSTRACT This paper develops a mathematical framework for interpreting observations of solar inertial waves in an idealized setting. Under the assumption of purely toroidal linear waves on the sphere, the stream function of the flow satisfies a fourth‐order scalar equation.
Tram Thi Ngoc Nguyen, Damien Fournier, Laurent Gizon, Thorsten Hohage   +3 more
wiley   +1 more source

Practical Guide and Best Practices for Diffusion NMR Processing With GNAT

Magnetic Resonance in Chemistry, EarlyView.
A practical and reproducible workflow for diffusion‐NMR (DOSY) data analysis is introduced through a step‐by‐step GNAT tutorial. By establishing clear processing guidelines, validation strategies, and reporting standards, this work aims to reduce variability in diffusion measurements and promote more transparent, comparable, and reliable DOSY studies ...
Tadeu Luiz Gomes Cabral, Guilherme Dal Poggetto, Claudio F. Tormena, Mathias Nilsson   +3 more
wiley   +1 more source

Bazı geçiş metal(II) klorür komplekslerin yapısal ve spektroskopik parametrelerinin Gaussian 03 programı ile incelenmesi

, 2020
ÖZETBu çalışma M(II)X2 [M=Mn, Fe, Co, Ni, Cu, Zn, Cd, Hg; X=Cl] molekülleri ve MXn [M=Zn, Cd, Hg; X=Cl, Br; n=3, 4] komplekslerinin en kararlı yapılarını Gassian 03W programı ile MPW1PW91/gen(Cl:6-31g(2df) M:sddall ve sdd) metodu kullanılarak hesaplanmasını içermektedir.
openaire   +1 more source

Bioconversion and characterization of watermelon rind waste‐based microcrystalline cellulose: A green alternative to synthetic reinforcements

Polymer International, EarlyView.
Microcrystalline cellulose (MCC) was extracted from watermelon rind using acid hydrolysis. MCC can be efficiently used as reinforcement in biofilms and biocomposites. Abstract The increasing accumulation of agricultural waste from watermelon (Citrullus lanatus) represents a substantial environmental concern, particularly in view of the extensive ...
Indran Suyambulingam, Sunesh Narayanaperumal, Divya Divakaran, Nadir Ayrilmis, P Senthamaraikannan, Siva Avudaiappan, Yamuna Munusamy, H Jeevan Rao   +7 more
wiley   +1 more source

Parameter investigation for urban surface‐energy balance: A large‐eddy simulation study

Quarterly Journal of the Royal Meteorological Society, EarlyView.
Large eddy simulation modelling is used to investigate the variation in surface‐energy balance (SEB) across an ensemble of morphometrically identical urban geometries. The geometries have the same plan‐area fraction, vegetated fraction, and frontal‐area index, but are unique in terms of building and green‐space layout.
Christopher E. Wilson, Jonathan K. P. Shonk, Sylvia I. Bohnenstengel, Athanasios Paschalis, Maarten van Reeuwijk   +4 more
wiley   +1 more source