Results 61 to 70 of about 5,501 (303)

Machine Learning Interatomic Potentials for Energy Materials: Architectures, Training Strategies, and Applications

Advanced Energy Materials, EarlyView.
Machine learning interatomic potentials bridge quantum accuracy and computational efficiency for materials discovery. Architectures from Gaussian process regression to equivariant graph neural networks, training strategies including active learning and foundation models, and applications in solid‐state electrolytes, batteries, electrocatalysts ...
In Kee Park, Saeed Pourasad, Jinhong Mun, Arunkumar Chitteth Rajan, Tae Hyeon Park, Anand Rohit, Mohammad Zafari, Tan‐Lien Pham, Eunjae Jung, Bonseung Koo, Miran Ha, Gi Beom Sim, Hyun Gyu Park, Won Woong Choi, Kwanghyeon Jo, Soohaeng Yoo Willow, David ChangMo Yang, Chang Woo Myung, Geunsik Lee, Kwang S. Kim   +19 more
wiley   +1 more source

Evaluation of Flux Correction on Three-Dimensional Strand Grids with an Overset Cartesian Grid

, 2017
Simulations of fluid flows over complex geometries are typically solved using a solution technique known as the overset meshing method. The geometry is meshed using grid types appropriate to the local geometry in a patchwork fashion, rather than meshing ...
Work, Dalon G.
core   +1 more source

A new drag and lift correlation for spherocylinders from fully resolved Immersed Boundary Method

AIChE Journal, EarlyView.
Abstract Many industrial processes deal with non‐spherical particles, e.g., mineral mining and biomass conversion. It is crucial to understand the particles' hydrodynamics to control and optimize these processes. To extend the current state‐of‐the‐art from arrays of spherical particles to spherocylindrical particles, we performed extensive particle ...
A. H. Huijgen, Y. Sterkenburgh, Y. Tang, N. G. Deen, M. W. Baltussen   +4 more
wiley   +1 more source

Aggregating distributed energy resources for grid flexibility services: A distributed game theoretic approach

International Journal of Robust and Nonlinear Control, EarlyView., 2023
Abstract We propose a hierarchical energy management scheme for aggregating Distributed Energy Resources (DERs) for grid flexibility services. To prevent a direct participation of numerous prosumers in the wholesale electricity market, aggregators, as self‐interest agents in our scheme, incentivize prosumers to provide flexibility. We firstly model the
Xiupeng Chen, Mehran Shakarami, Jacquelien M. A. Scherpen, Nima Monshizadeh   +3 more
wiley   +1 more source

Why Physics Still Matters: Improving Machine Learning Prediction of Material Properties With Phonon‐Informed Datasets

Advanced Intelligent Discovery, EarlyView.
Phonons‐informed machine‐learning predictive models are propitious for reproducing thermal effects in computational materials science studies. Machine learning (ML) methods have become powerful tools for predicting material properties with near first‐principles accuracy and vastly reduced computational cost.
Pol Benítez, Cibrán López, Edgardo Saucedo, Teruyasu Mizoguchi, Claudio Cazorla   +4 more
wiley   +1 more source

Deep Learning–Based Extraction of Promising Material Groups and Common Features from High‐Dimensional Data: A Case of Optical Spectra of Inorganic Crystals

Advanced Intelligent Discovery, EarlyView.
We report a novel interpretation method for deep learning models based on feature extraction and clustering. Applying this method to an atomistic line graph neural network (ALIGNN) model trained on optical absorption spectra of 2,681 inorganic compounds obtained from first‐principles calculations, we successfully identify key factors underlying ...
Akira Takahashi, Yu Kumagai, Arata Takamatsu, Fumiyasu Oba   +3 more
wiley   +1 more source

Improved immersed boundary/wall modeling method for RANS solver coupled with wall functions: application to Cartesian grid systems

Engineering Applications of Computational Fluid Mechanics
A two-dimensional (2D) Reynolds-averaged Navier–Stokes (RANS) equations solver with k–ω turbulence closure is developed, employing immersed boundary (IB) technique on Cartesian grids.
Xueying Yu, David R. Fuhrman, Yanlin Shao   +2 more
doaj   +1 more source

Efficient Finite Element Methodology Based on Cartesian Grids: Application to Structural Shape Optimization

Abstract and Applied Analysis, 2013
This work presents an analysis methodology based on the use of the Finite Element Method (FEM) nowadays considered one of the main numerical tools for solving Boundary Value Problems (BVPs). The proposed methodology, so-called cg-FEM (Cartesian grid FEM),
E. Nadal, J. J. Ródenas, J. Albelda, M. Tur, J. E. Tarancón, F. J. Fuenmayor   +5 more
doaj   +1 more source

NUMERICAL SIMULATION OF A NATURALLY FRACTURED RESERVOIR. [PDF]

مجلة جامعة الانبار للعلوم الصرفة, 2012
This research is concerned with the development of a numerical model for stratified normally fractured reservoirs. Three dimensional three phase flow black oil simulation model is adopted. The dual porosity-dual permeability model is used.
Mohammad S. Al-Jawad, Ahmed J. Mahmood
doaj   +1 more source

A comparative study of immersed-boundary interpolation methods for a flow around a stationary cylinder at low Reynolds number [PDF]

, 2013
The accuracy and computational efficiency of various interpolation methods for the implementation of non grid-confirming boundaries is assessed. The aim of the research is to select an interpolation method that is both efficient and sufficiently accurate
Wissink, J, Bahai, H, Madani, Seyed Hossein, Wissink, Jan, Madani, SH, Bahai, Hamid   +5 more
core