Results 51 to 60 of about 49,829 (265)

First Principles Methods: A Perspective from Quantum Monte Carlo

Entropy, 2013
Quantum Monte Carlo methods are among the most accurate algorithms for predicting properties of general quantum systems. We briefly introduce ground state, path integral at finite temperature and coupled electron-ion Monte Carlo methods, their merits and
Miguel A. Morales, Raymond Clay, Carlo Pierleoni, David M. Ceperley   +3 more
doaj   +1 more source

Performing linear regression with responses calculated using Monte Carlo transport codes

Nuclear Engineering and Technology, 2022
In many of the complex systems modeled in the field of nuclear engineering, it is often useful to use linear regression-based analyses to analyze relationships between model parameters and responses of interests.
Dean Price, Brendan Kochunas
doaj   +1 more source

A Workflow to Accelerate Microstructure‐Sensitive Fatigue Life Predictions

Advanced Engineering Materials, EarlyView.
This study introduces a workflow to accelerate predictions of microstructure‐sensitive fatigue life. Results from frameworks with varying levels of simplification are benchmarked against published reference results. The analysis reveals a trade‐off between accuracy and model complexity, offering researchers a practical guide for selecting the optimal ...
Luca Loiodice, Krzysztof S. Stopka, Michael D. Sangid   +2 more
wiley   +1 more source

Calculations of Cryopumping Speeds by the Monte Carlo Method

SHINKU, 1969
The rate of removal of gas molecules in cryogenic pumping systems essentially depends on the configuration of radiation shields. In this paper, an attempt was made to analyze the shield configuration devised for the ETL space simulation chamber. Calculations were carried out by the Monte Carlo method on the basis of following assumptions : (1) The ...
AKIYAMA, Yoshitane, NAKAYAMA, Katsuya, SAITO, Mahito   +2 more
openaire   +2 more sources

Measuring the convergence of Monte Carlo free-energy calculations [PDF]

Physical Review E, 2010
The nonequilibrium work fluctuation theorem provides the way for calculations of (equilibrium) free energy based on work measurements of nonequilibrium, finite-time processes and their reversed counterparts by applying Bennett's acceptance ratio method.
Hahn, Aljoscha M., Then, H
openaire   +4 more sources

Fostering Innovation: Streamlining Magnetocaloric Materials Research by Digitalization

Advanced Engineering Materials, EarlyView.
Magnetocaloric cooling (MCE) is an environmentally friendly refrigeration method with great potential. Optimizing MCE materials involves the preparation and screening of large quantities of samples, which in turn generates a large amount of data. A digitalization approach is presented that uses ontologies, knowledge graphs, and digital workflows to ...
Simon Bekemeier, Moritz Blum, Luana Caron, Alisa Chirkova, Philipp Cimiano, Basil Ell, Inga Ennen, Michael Feige, Maik Gaerner, Thomas Hilbig, Andreas Hütten, Günter Reiss, Tapas Samanta, Sonja Schöning, Christian Schröder, Lennart Schwan, Chris Taake, Martin Wortmann   +17 more
wiley   +1 more source

Workflow for Design of Experiments‐Based Modeling of Species Transport and Growth Kinetics in GaN Hydride Vapor Phase Epitaxy

Advanced Engineering Materials, EarlyView.
A novel workflow for investigating hydride vapor phase epitaxy for GaN bulk crystal growth is proposed. It combines Design of experiments (DoE) with physical simulations of mass transport and crystal growth kinetics, serving as an intermediate step between DoE and experiments.
J. Tomkovič, G. Lukin, H. Torkashvand, A. Kerschbaum, M. Müller, S. Besendörfer, J. Heitmann, J. Friedrich   +7 more
wiley   +1 more source

Microstructure Reconstruction in Battery Electrodes Using Machine Learning Based on Low‐Voltage Focused Ion Beam–Scanning Electron Microscopy Tomography Images

Advanced Engineering Materials, EarlyView.
Low‐voltage FIB‐SEM tomography combined with a image preprocessing pipeline improves phase contrast and enables reliable machine‐learning segmentation of conductive networks in lithium‐ion battery electrodes. Structural descriptors are extracted from segmented images, done semimanually and automated, and compared.
Lisa Beran, Vincent Nebel, Dominik Perius, Kshitij Kumar, Yannis Heim, Laura Bies, Tobias Kraus   +6 more
wiley   +1 more source

Monte carlo calculations of ultrasound scattering by blood

Archives of Acoustics, 2015
The ultrasound scattering by blood depends on the flow velocity profile, as can be shown by frequency analysis of the c.w. Doppler signals. Also, the amplitude of the Doppler signals received fluctuates relatively strongly. This, fact cannot be explained
Ulrich COBET, Albrecht KLEMENZ, Rudolf MILLNER   +2 more
doaj  

Gantry orientation effect on the neutron and capture gamma ray dose equivalent at the maze entrance door in radiation therapy [PDF]

Nuclear Technology and Radiation Protection, 2012
In the present study, the effect of gantry orientation on the photoneutron and capture gamma dose calculations for maze entrance door was evaluated. A typical radiation therapy room made of ordinary concrete was simulated using MCNPX Monte Carlo code.
Ghiasi Hosein, Mesbahi Asghar
doaj   +1 more source