A method to correct shallow-water model tests for tank wall effects
Sign Up to like & getrecommendations! Published in 2019 at "Journal of Marine Science and Technology"
DOI: 10.1007/s00773-018-0563-1
Abstract: A new method is proposed to correct shallow-water model resistance tests for the effect of the tank side walls, i.e. to correct the resistance curve towards shallow water of infinite width. From computed flow fields… read more here.
Keywords: correct shallow; wall effects; water; tank wall ... See more keywords
Effects of the Ultrasound Treatment on Reaction Rates in the RH Processor Water Model System
Sign Up to like & getrecommendations! Published in 2018 at "Metals and Materials International"
DOI: 10.1007/s12540-018-0160-1
Abstract: Ruhrstahl–Heraeus (RH) processor is widely applied to the refining process to produce steel with very low carbon contents. In this study, to investigate the effect of ultrasound treatment on RH decarburization process, we have developed… read more here.
Keywords: ultrasound treatment; model; water model; process ... See more keywords
Fast Polarizable Water Model for Atomistic Simulations.
Sign Up to like & getrecommendations! Published in 2022 at "Journal of chemical theory and computation"
DOI: 10.1021/acs.jctc.2c00378
Abstract: Simulating water accurately has been a major challenge in atomistic simulations for decades. Inclusion of electronic polarizability effects holds considerable promise, yet existing approaches suffer from significant computational overheads compared to the widely used nonpolarizable… read more here.
Keywords: opc3 pol; water model; polarizable water; water ... See more keywords
Flexible Polarizable Water Model Parameterized via Gaussian Process Regression.
Sign Up to like & getrecommendations! Published in 2022 at "Journal of chemical theory and computation"
DOI: 10.1021/acs.jctc.2c00529
Abstract: Water is one of the most common components in molecular dynamics (MD) simulations. Using Gaussian process regression for predicting the properties of a water model without the need of running a simulation whenever the parameters… read more here.
Keywords: water model; water; model; gaussian process ... See more keywords
Number Formats, Error Mitigation, and Scope for 16‐Bit Arithmetics in Weather and Climate Modeling Analyzed With a Shallow Water Model
Sign Up to like & getrecommendations! Published in 2020 at "Journal of Advances in Modeling Earth Systems"
DOI: 10.1029/2020ms002246
Abstract: The need for high‐precision calculations with 64‐bit or 32‐bit floating‐point arithmetic for weather and climate models is questioned. Lower‐precision numbers can accelerate simulations and are increasingly supported by modern computing hardware. This paper investigates the… read more here.
Keywords: water model; model; weather climate; shallow water ... See more keywords
Strontium isotopes (87Sr/86Sr) in terrestrial ecological and palaeoecological research: empirical efforts and recent advances in continental‐scale models
Sign Up to like & getrecommendations! Published in 2017 at "Biological Reviews"
DOI: 10.1111/brv.12217
Abstract: Strontium (Sr) isotope analysis can provide detailed biogeographical and ecological information about modern and ancient organisms. Because Sr isotope ratios (87Sr/86Sr) in biologically relevant materials such as water, soil, vegetation, and animal tissues predominantly reflect… read more here.
Keywords: water; local water; water model; 87sr 86sr ... See more keywords
Molecular dynamics simulations of the adsorption of an intrinsically disordered protein: Force field and water model evaluation in comparison with experiments
Sign Up to like & getrecommendations! Published in 2022 at "Frontiers in Molecular Biosciences"
DOI: 10.3389/fmolb.2022.958175
Abstract: This study investigates possible structural changes of an intrinsically disordered protein (IDP) when it adsorbs to a solid surface. Experiments on IDPs primarily result in ensemble averages due to their high dynamics. Therefore, molecular dynamics… read more here.
Keywords: intrinsically disordered; water model; spectroscopy; water ... See more keywords
On the Choice of Different Water Model in Molecular Dynamics Simulations of Nanopore Transport Phenomena
Sign Up to like & getrecommendations! Published in 2022 at "Membranes"
DOI: 10.3390/membranes12111109
Abstract: The water transport through nanoporous multilayered graphene at 300k is investigated using molecular dynamics (MD) simulation with different water models in this study. We used functionalized and non-functionalized membranes along with five different 3-point rigid… read more here.
Keywords: water model; water; molecular dynamics; different water ... See more keywords
Capacitive Behavior of Aqueous Electrical Double Layer Based on Dipole Dimer Water Model
Sign Up to like & getrecommendations! Published in 2022 at "Nanomaterials"
DOI: 10.3390/nano13010016
Abstract: The aim of the present paper is to investigate the possibility of using the dipole dimer as water model in describing the electrical double layer capacitor capacitance behaviors. Several points are confirmed. First, the use… read more here.
Keywords: water model; dipole dimer; water; dimer water ... See more keywords