Uncertainty quantification is becoming a key tool to ensure that numerical models can be sufficiently trusted to be used in domains such as medical device design. Demonstration of how input parameters impact the quantities of interest generated by any numerical model is essential to understanding the limits of its reliability. With the lattice Boltzmann method now a widely used approach for computational fluid dynamics, building greater understanding of its numerical uncertainty characteristics will support its further use in science and industry. In this study we apply an in-depth uncertainty quantification study of the lattice Boltzmann method in a canonical bifurcating geometry that is representative of the vascular junctions present in arterial and venous domains. These campaigns examine how quantities of interest-pressure and velocity along the central axes of the bifurcation-are influenced by the algorithmic parameters of the lattice Boltzmann method and the parameters controlling the values imposed at inlet velocity and outlet pressure boundary conditions. We also conduct a similar campaign on a set of personalised vessels to further illustrate the application of these techniques. Our work provides insights into how input parameters and boundary conditions impact the velocity and pressure distributions calculated in a simulation and can guide the choices of such values when applied to vascular studies of patient specific geometries. We observe that, from an algorithmic perspective, the number of time steps and the size of the grid spacing are the most influential parameters. When considering the influence of boundary conditions, we note that the magnitude of the inlet velocity and the mean pressure applied within sinusoidal pressure outlets have the greatest impact on output quantities of interest. We also observe that, when comparing the magnitude of variation imposed in the input parameters with that observed in the output quantities, this variability is particularly magnified when the input velocity is altered. This study also demonstrates how open-source toolkits for validation, verification and uncertainty quantification can be applied to numerical models deployed on high-performance computers without the need for modifying the simulation code itself. Such an ability is key to the more widespread adoption of the analysis of uncertainty in numerical models by significantly reducing the complexity of their execution and analysis.
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http://dx.doi.org/10.1038/s41598-024-61708-w | DOI Listing |
Environ Res
January 2025
China Academy of Safety Science and Technology, Beijing 100012, China. Electronic address:
Spontaneous coal fires are a significant source of greenhouse gas emissions, contributing to global warming. However, the lack of reliable estimation methods and research has obscured the full environmental impact of these emissions. This paper presents a novel quantification method for fugitive carbon emissions from spontaneous coal combustion.
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January 2025
Bioinformatics and Computational Biology Program, Worcester Polytechnic Institute, Worcester, MA, USA.
Neuroinflammation immediately follows the onset of ischemic stroke in the middle cerebral artery. During this process, microglial cells are activated in and recruited to the penumbra. Microglial cells can be activated into two different phenotypes: M1, which can worsen brain injury; or M2, which can aid in long-term recovery.
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DEBtox Research, Stevensweert, The Netherlands.
Environmental risk assessment of chemicals (ERA) relies on single-species laboratory testing to establish the toxic properties of a compound. However, ERA is not concerned with toxicity under laboratory conditions: it needs to assess the impacts of the compound in the real world. Data-driven statistical analyses (e.
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March 2025
Department of Radiology, Perelman School of Medicine, University of Pennsylvania, Philadelphia, Pennsylvania, USA.
The purpose of this study was to measure T and T relaxation times of NAD proton resonances in the downfield H MRS spectrum in human brain at 7 T in vivo and to assess the propagation of relaxation time uncertainty in NAD quantification. Downfield spectra from eight healthy volunteers were acquired at multiple echo times to measure T relaxation times, and saturation recovery data were acquired to measure T relaxation times. The downfield acquisition used a spectrally selective 90° sinc pulse for excitation centered at 9.
View Article and Find Full Text PDFJ Am Chem Soc
January 2025
Department of Metallurgical and Materials Enginerring, Colorado School of Mines, Golden, Colorado 80401, United States.
The sizes of the basins of attraction on the potential energy surface are helpful indicators in determining the experimental synthesizability of metastable phases. In principle, these basins can be controlled with changes in thermodynamic conditions such as composition, pressure, and surface energy. Herein, we use random structure sampling to computationally study how alloying smoothly perturbs basin of attraction sizes.
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