Engineering Papers⌕ Search

SEARCH · Engineering Papers

Results for “VOLUME”

Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

Quote a phrase for an exact phrase match. Source license links do not imply unrestricted reuse.

At least 505 records · Page 28
All sourcesNASA NTRSDOE OSTI
DOE OSTI2015

Super-resolution reconstruction in frequency, image, and wavelet domains to reduce through-plane partial voluming in MRI

Purpose: To compare and evaluate the use of super-resolution reconstruction (SRR), in frequency, image, and wavelet domains, to reduce through-plane partial voluming effects in magnetic resonance imaging. Methods: The reconstruction of an isotropic high-resolution image from multiple thick-slice scans has been investigated through techniques in frequency, image, and wavelet domains. Experiments were carried out with thick-slice T2-weighted fast spin echo sequence on the Academic College of Radiology MRI phantom, where the reconstructed images were compared to a reference high-resolution scan using peak signal-to-noise ratio (PSNR), structural similarity image metric (SSIM), mutual information (MI), and the mean absolute error (MAE) of image intensity profiles. The application of super-resolution reconstruction was then examined in retrospective processing of clinical neuroimages of ten pediatric patients with tuberous sclerosis complex (TSC) to reduce through-plane partial voluming for improved 3D delineation and visualization of thin radial bands of white matter abnormalities. Results: Quantitative evaluation results show improvements in all evaluation metrics through super-resolution reconstruction in the frequency, image, and wavelet domains, with the highest values obtained from SRR in the image domain. The metric values for image-domain SRR versus the original axial, coronal, and sagittal images were PSNR = 32.26 vs 32.22, 32.16, 30.65; SSIM = 0.931 vs 0.922, 0.924, 0.918; MI = 0.871 vs 0.842, 0.844, 0.831; and MAE = 5.38 vs 7.34, 7.06, 6.19. All similarity metrics showed high correlations with expert ranking of image resolution with MI showing the highest correlation at 0.943. Qualitative assessment of the neuroimages of ten TSC patients through in-plane and out-of-plane visualization of structures showed the extent of partial voluming effect in a real clinical scenario and its reduction using SRR. Blinded expert evaluation of image resolution in resampled out-of-plane views consistently showed the superiority of SRR compared to original axial and coronal image acquisitions. Conclusions: Thick-slice 2D T2-weighted MRI scans are part of many routine clinical protocols due to their high signal-to-noise ratio, but are often severely affected by through-plane partial voluming effects. This study shows that while radiologic assessment is performed in 2D on thick-slice scans, super-resolution MRI reconstruction techniques can be used to fuse those scans to generate a high-resolution image with reduced partial voluming for improved postacquisition processing. Qualitative and quantitative evaluation showed the efficacy of all SRR techniques with the best results obtained from SRR in the image domain. The limitations of SRR techniques are uncertainties in modeling the slice profile, density compensation, quantization in resampling, and uncompensated motion between scans.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2016

SU-F-R-42: Association of Radiomic and Metabolic Tumor Volumes in Radiation Treatment of Glioblastoma Multiforme

Purpose: High-throughput extraction of imaging and metabolomic quantitative features from MRI and MR Spectroscopy Imaging (MRSI) of Glioblastoma Multiforme (GBM) results in tens of variables per patient. In radiotherapy (RT) of GBM, the relevant metabolic tumor volumes (MTVs) are related to aberrant levels of N-acetyl Aspartate (NAA) and Choline (Cho). Corresponding Clinical Target Volumes (CTVs) for RT planning are based on Contrast Enhancing T1-weighted MRI (CE-T1w) and T2-weighted/Fluid Attenuated Inversion Recovery (FLAIR) MRI. The objective is to build a framework for investigation of associations between imaging, CTV, and MTV features better understanding of the underlying information in the CTVs and dependencies between these volumes. Methods: Necrotic portions, enhancing lesion and edema were manually contoured on T1w/T2w images for 17 GBM patients. CTVs and MTVs for NAA (MTV{sub NAA}) and Cho (MTV{sub Cho}) were constructed. Tumors were scored categorically for ten semantic imaging traits by neuroradiologist. All features were investigated for redundancy. Two-way correlations between imaging and RT/MTV features were visualized as heat maps. Associations between MTV{sub NAA}, MTV{sub Cho} and imaging features were studied using Spearman correlation. Results: 39 imaging features were computed per patient. Half of the imaging traits were replaced with automatically extracted continuous variables. 21 features were extracted from MTVs/CTVs. There were a high number (43) of significant correlations of imaging with CTVs/MTV{sub NAA} while very few (10) significant correlations were with CTVs/MTV{sub Cho}. MTV{sub NAA} was found to be closely associated with MRI volumes, MTV{sub Cho} remains elusive for characterization with imaging. Conclusion: A framework for investigation of co-dependency between MRI and RT/metabolic features is established. A series of semantic imaging traits were replaced with automatically extracted continuous variables. The approach will allow for exploration of relationships between sizes and intersection of imaging features of tumors, RT volumes, metabolite concentrations and comparing those to therapy outcome, quality of life evaluation and overall survival rate. This publication was supported by Grant 10BN03 from Bankhead Coley Cancer Research Program, R01EB000822, R01EB016064, and R01CA172210 from the National Institutes of Health, and Indo-US Science & Technology Forum award #20-2009. Bhaswati Roy received financial assistance from University Grant Commission, New Delhi, India.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2016

SU-F-T-254: Dose Volume Histogram (DVH) Analysis of Breath Hold Vs Free Breathing Techniques for Esophageal Tumors

Purpose: Lung and heart doses and associated toxicity are of concern in radiotherapy for esophageal cancer. This study evaluates the dosimetry of deep-inspiration-breath-hold (DIBH) technique as compared to freebreathing( FB) using 3D-conformal treatment(3D-CRT) of esophageal cancer. Methods: Eight patients were planned with FB and DIBH CT scans. DIBH scans were acquired using Varian RPM system. FB and DIBH CTs were contoured per RTOG-1010 to create the planning target volume(PTV) as well as organs at risk volumes(OAR). Two sets of gross target volumes(GTV) with 5cm length were contoured for each patient: proximal at the level of the carina and distal at the level of gastroesophageal junction and were enlarged with appropriate margin to generate Clinical Target Volume and PTV. 3D-CRT plans were created on Eclipse planning system for 45Gy to cover 95% of PTV in 25 fractions for both proximal and distal tumors on FB and DIBH scans. For distal tumors celiac nodes were covered electively. DVH parameters for lung and heart OARs were generated and analyzed. Results: All DIBH DVH parameters were normalized to FB plan values. Average of heart-mean and heart-V40 was 0.70 and 0.66 for proximal lesions. For distal lesions ratios were 1.21 and 2.22 respectively. For DIBH total lung volume increased by 2.43 times versus FB scan. Average of lung-mean, V30, V20, V10, V5 are 0.82, 0.92, 0.76, 0.77 and 0.79 for proximal lesions and 1.17,0.66,0.87,0.93 and 1.03 for distal lesions. Heart doses were lower for breath-hold proximal lesions but higher for distal lesions as compared to free-breathing plans. Lung doses were lower for both proximal and distal breath-hold lesions except mean lung dose and V5 for distal lesions. Conclusion: This study showed improvement of OAR doses for esophageal lesions at mid-thoracic level utilizing DIBH vs FB technique but did not show consistent OAR sparing with DIBH for distal lesions.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2016

SU-G-BRA-04: Simulation of Errors in Maximal Intensity Projection (MIP)-Based Lung Tumor Internal Target Volumes (ITV) Using Real-Time 2D MRI and Deformable Image Registration Based Lung Tumor Tracking

Purpose: To evaluate the effect of inter- and intra-fractional tumor motion on the error in four-dimensional computed tomography (4DCT) maximal intensity projection (MIP)–based lung tumor internal target volumes (ITV), using deformable image registration of real-time 2D-sagital cine-mode MRI acquired during lung SBRT treatments. Methods: Five lung tumor patients underwent free breathing SBRT treatment on the ViewRay, with dose prescribed to PTV (4DCT MIP-based ITV+3–6mm margin). Sagittal slice cine-MR images (3.5×3.5mm pixels) were acquired through the center of the tumor at 4 frames per second throughout the treatments (3–4 fractions of 21–32 minutes duration). Tumor GTVs were contoured on the first frame of the cine and tracked throughout the treatment using off-line optical-flow based deformable registration implemented on a GPU cluster. Pseudo-4DCT MIP-based ITVs were generated from MIPs of the deformed GTV contours limited to short segments of image data. All possible pseudo-4DCT MIP-based ITV volumes were generated with 1s resolution and compared to the ITV volume of the entire treatment course. Varying pseudo-4DCT durations from 10-50s were analyzed. Results: Tumors were covered in their entirety by PTV in the patients analysed here. However, pseudo-4DCT based ITV volumes were observed that were as small as 29% of the entire treatment-ITV, depending on breathing irregularity and the duration of pseudo-4DCT. With an increase in duration of pseudo-4DCT from 10–50s the minimum volume acquired from 95% of all pseudo-4DCTs increased from 62%–81% of the treatment ITV. Conclusion: A 4DCT MIP-based ITV offers a ‘snap-shot’ of breathing motion for the brief period of time the tumor is imaged on a specific day. Real time MRI over prolonged periods of time and over multiple treatment fractions shows that the accuracy of this snap-shot varies according to inter- and intra-fractional tumor motion. Further work is required to investigate the dosimetric effect of these results.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2018

Formation of the Excess Free Volume in Triple Junctions during Nickel Crystallization

The formation of an excess free volume in triple junctions during crystallization has been studied by the molecular dynamics model using nickel as an example. It is shown that an excess free volume that forms during nickel crystallization in triple junctions predominantly forms as a result of the fixation of the liquid phase volume when contacting three crystallization fronts that contains, after crystallization, a high fraction of the free volume. In some cases, as the free volume is concentrated in triple junctions, a comparatively small crystalline subgrain (from one to several nanometers in diameter) forms, and the subgrain has the orientation different from those of contacting grains and exists in the extended state.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2023

Quantifying Aging-Induced Irreversible Volume Change of Porous Electrodes

Automotive manufacturers are working to improve cell and pack design by increasing their performance, durability, and range. One of the critical factors to consider as the industry moves towards materials with higher energy density is the ability to consider the irreversible volume change characteristic of the accelerated SEI layer growth tied to the large volume change and particle cracking typically associated with active material strain. As the time from initial design to manufacture of electric vehicle is decreased in order to rapidly respond to consumer demands and widespread adoption of electric vehicles, the ability to link aging and volume change to end of life vehicle requirements using virtual tools is critical. In this study, apply a mechano-electrochemical model to determine the irreversible volume change at the electrode and cell level, allowing for virtual design iterations to predict the volume change at battery cell aged states.

Electrochemistry↗
DOE OSTI2019

Ubiquitous Traffic Volume Estimation System

The Ubiquitous Traffic Volume Estimation System uses Machine Learning (ML) algorithms to provide accurate estimates of number vehicles on the roadway (ubiquitous traffic volume) based on inputs such as commercial probe traffic data that includes average vehicle speed and probe counts, roadway characteristics, weather, time of day, and day of week, and reference volume counts from a limited number of automatic traffic recorder stations. The Ubiquitous Traffic Volume Estimation System estimates traffic volumes 24 hours a day, 7 days a week, and 365 days a year on all major corridors and freeways in Denver metropolitan area and is being expanded to the whole state of Colorado. The methodology and code developed in this effort can be easily customized to other states and cities where similar data is available.

Young, Stanley↗
DOE OSTI2024

The ASSIST trial: Acute effects of manipulating strength exercise volume on insulin sensitivity in obese adults: A protocol for a randomized controlled, crossover, clinical trial

Type 2 diabetes mellitus is a disease in which insulin action is impaired, and an acute bout of strength exercise can improve insulin sensitivity. Current guidelines for strength exercise prescription suggest that 8 to 30 sets could be performed, although it is not known how variations in exercise volume impact insulin sensitivity. Additionally, this means an almost 4-fold difference in time commitment, which might directly impact an individual’s motivation and perceived capacity to exercise. This study will assess the acute effects of high- and low-volume strength exercise sessions on insulin sensitivity. After being thoroughly familiarized, 14 obese individuals of both sexes (>40 year old) will undergo 3 random experimental sessions, with a minimum 4-day washout period between them: a high-volume session (7 exercises, 3 sets per exercise, 21 total sets); a low-volume session (7 exercises, 1 set per exercise, 7 total sets); and a control session, where no exercise will be performed. Psychological assessments (feeling, enjoyment, and self-efficacy) will be performed after the sessions. All sessions will be held at night, and the next morning, an oral glucose tolerance test will be performed in a local laboratory, from which indexes of insulin sensitivity will be derived. We believe this study will aid in strength exercise prescription for individuals who claim not to have time to exercise or who perceive high-volume strength exercise intimidating to adhere to. This trial was prospectively registered.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2016

Volume 1: Survey of Available Information in Support of the Energy-Water Bandwidth Study of Desalination Systems

The U.S. Department of Energy (DOE) has set a goal to reduce the cost of seawater desalination systems to $0.50/ cubic meter (m 3 ) through the development of technology pathways to reduce energy, capital, operating, soft, and system integration costs.1 In support of this goal and to evaluate the technology pathways to lower the energy and carbon intensity of desalination while also reducing the total water cost, DOE is undertaking a comprehensive study of the energy consumption and carbon dioxide (CO 2 ) emissions for desalination technologies and systems. This study is being undertaken in two phases. Phase 1, Survey of Available Information in Support of the Energy-Water Bandwidth Study of Desalination Systems, collected the background information that will underpin Phase 2, the Energy Water Bandwidth Study for Desalination Systems. This report (Volume 1) summarizes the results from Phase 1. The results from Phase 2 will be summarized in Volume 2: Energy Water Bandwidth Study for Desalination Systems (Volume 2). The analysis effort for Phase 2 will utilize similar methods as other industry-specific Energy Bandwidth Studies developed by DOE,2 which has provided a framework to evaluate and compare energy savings potentials within and across manufacturing sectors at the macroscale. Volume 2 will assess the current state of desalination energy intensity and reduction potential through the use of advanced and emerging technologies. For the purpose of both phases of study, energy intensity is defined as the amount of energy required per unit of product water output (for example, kilowatt-hours per cubic meter of water produced). These studies will expand the scope of previous sectorial bandwidth studies by also evaluating CO 2 intensity and reduction opportunities and informing a techno-economic analysis of desalination systems. Volume 2 is expected to be completed in 2017.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
DOE OSTI2017

Magnetotelluric Detection Thresholds as a Function of Leakage Plume Depth, TDS and Volume

We conducted a synthetic magnetotelluric (MT) data analysis to establish a set of specific thresholds of plume depth, TDS concentration and volume for detection of brine and CO 2 leakage from legacy wells into shallow aquifers in support of Strategic Monitoring Subtask 4.1 of the US DOE National Risk Assessment Partnership (NRAP Phase II), which is to develop geophysical forward modeling tools. 900 synthetic MT data sets span 9 plume depths, 10 TDS concentrations and 10 plume volumes. The monitoring protocol consisted of 10 MT stations in a 2×5 grid laid out along the flow direction. We model the MT response in the audio frequency range of 1 Hz to 10 kHz with a 50 Ωm baseline resistivity and the maximum depth up to 2000 m. Scatter plots show the MT detection thresholds for a trio of plume depth, TDS concentration and volume. Plumes with a large volume and high TDS located at a shallow depth produce a strong MT signal. We demonstrate that the MT method with surface based sensors can detect a brine and CO 2 plume so long as the plume depth, TDS concentration and volume are above the thresholds. However, it is unlikely to detect a plume at a depth larger than 1000 m with the change of TDS concentration smaller than 10%. Simulated aquifer impact data based on the Kimberlina site provides a more realistic view of the leakage plume distribution than rectangular synthetic plumes in this sensitivity study, and it will be used to estimate MT responses over simulated brine and CO 2 plumes and to evaluate the leakage detectability. Integration of the simulated aquifer impact data and the MT method into the NRAP DREAM tool may provide an optimized MT survey configuration for MT data collection. This study presents a viable approach for sensitivity study of geophysical monitoring methods for leakage detection. The results come in handy for rapid assessment of leakage detectability.

58 GEOSCIENCES↗
DOE OSTI2012

Consolidated decommissioning guidance: Financial assurance, recordkeeping, and timeliness. Volume 3

The U.S. Nuclear Regulatory Commission (NRC) consolidated and updated numerous decommissioning guidance documents into this three volume NUREG. Specifically, the three volumes address the following topics: (1) "Decommissioning Process for Materials Licensees"; (2) "Characterization, Survey, and Determination of Radiological Criteria"; and (3) "Financial Assurance, Recordkeeping, and Timeliness." This three-volume NUREG series replaces NUREG-1727 ("NMSS Decommissioning Standard Review Plan," issued September 2000) and NUREG/BR-0241 ("NMSS Handbook for Decommissioning Fuel Cycle and Materials Licensees," issued March 1997). This NUREG series is intended for use by NRC staff, licensees, and others. Volume 3 of this NUREG series provides guidance on the technical aspects of compliance with requirements for timeliness in decommissioning of materials facilities, the requirements for financial assurance for decommissioning, and the recordkeeping requirements related to eventual decommissioning. Licensees should use this guidance in preparing decommissioning plans, license termination plans, final status surveys, and other technical decommissioning reports for submittal to the NRC. The NRC staff will use this guidance in reviewing these documents and related license amendment requests. Volume 3 is intended to apply only to the decommissioning of materials facilities licensed under Title 10 of the Code of Federal Regulations (10 CFR) Parts 30, 40, 70, and 72.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2020

Enduring Transuranic Liquid Waste Volume Forecast and Constituent Evaluation (FY20)

The “FY11 Radioactive Liquid Waste (RLW) Influent Boundary Condition Assessment and Forecast” report provided influent volume forecasts that were critical in establishing the design capacity for the new Radioactive Liquid Waste Transuranic (RLW-TRU) capability. The design for the new RLW-TRU capability was paused as the final design was being completed and prior to the transition of the new management and operations contract for Los Alamos National Laboratory (LANL). Recently, NNSA has directed the project to restart and complete the design effort. As part of the restart process, LANL was asked to validate or document any material changes in the influent volumes or constituents that formed the design basis for the new capability. This analysis updates the transuranic liquid waste influents volumes, incorporating the changes in the LANL program of record since the FY11 assessment, and includes a cursory validation of influent constituents. The results of the FY19 update to influent volume forecasts shows: 1) the influent volume of 29,000 L should continue to be used as the project design-basis; 2) There have been no material changes in the operational processes that would change the constituents of concern from either a treatment or material compatibility perspective.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2020

2019 Site Environmental Report (Volume 1)

Brookhaven National Laboratory (BNL) is managed on behalf of the Department of Energy (DOE) by Brookhaven Science Associates (BSA), a partnership between the Research Foundation for the State University of New York on behalf of Stony Brook University and Battelle. For over 70 years, the Laboratory has played a lead role in the DOE Science and Technology mission and continues to contribute to the DOE’s missions in energy resources, environmental quality, and national security. BNL manages its world-class scientific research with particular sensitivity to environmental issues and community concerns. The Laboratory’s Environmental, Safety, Security, and Health (ESSH) Policy reflects the commitment of BNL’s management to fully integrate environmental stewardship into all facets of its mission and operations. BNL prepares an annual Site Environmental Report (SER) in accordance with DOE Order 231.1B, Environment, Safety, and Health Reporting. The report is written to inform the public, regulators, employees, and other stakeholders of the Laboratory’s environmental performance during the calendar year in review. Volume I of the SER summarizes environmental data; environmental management performance; compliance with applicable DOE, federal, state, and local regulations; and performance in restoration and surveillance monitoring programs. BNL has prepared annual SERs since 1971 and has documented nearly all its environmental history since the Laboratory’s inception in 1947. Volume II of the SER, the Groundwater Status Report, is also prepared annually to report on the status of groundwater protection and restoration efforts. Volume II includes detailed technical summaries of groundwater data and treatment system operations and is intended for regulators and other technically oriented stakeholders. A summary of the information contained in Volume II is included in Chapter 7, Groundwater Protection, of this volume.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2024

2023 Site Environmental Report: Volume 1

Brookhaven National Laboratory (BNL) is managed on behalf of the Department of Energy (DOE) by Brookhaven Science Associates (BSA), a partnership between Stony Brook University and Battelle, and six core universities: Columbia, Cornell, Harvard, Massachusetts Institute of Technology, Princeton, and Yale. For over 75 years, the Laboratory has played a lead role in the DOE Science and Technology mission and continues to contribute to the DOE’s missions in energy resources, environmental quality, and national security. BNL manages its world-class scientific research operations with sensitivity to environmental issues and community concerns. The Laboratory’s Environmental, Safety, Security, and Health (ESSH) Policy reflects the commitment of BNL’s management to fully integrate environmental stewardship into all facets of its mission and operations. BNL prepares an annual Site Environmental Report (SER) in accordance with DOE Order 231.1B, Environment, Safety, and Health Reporting. The report is written to inform the public, regulators, employees, and other stakeholders of the Laboratory’s environmental performance during the calendar year in review. Volume I of the SER summarizes environmental data; environmental management performance; compliance with applicable DOE, federal, state, and local regulations; and performance in restoration and surveillance monitoring programs. BNL has prepared annual SERs since 1971 and has documented nearly all its environmental history since the Laboratory’s inception in 1947. Volume II of the SER, the Groundwater Status Report, is also prepared annually to report on the status of groundwater protection and restoration efforts. Volume II includes detailed technical summaries of groundwater data and treatment system operations and is intended for regulators and other technically oriented stakeholders. A summary of the information contained in Volume II is included in Chapter 7, Groundwater Protection, of this volume.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2024

Enabling Ultralow Volume Analysis with a High-Resolution Ion Mobility Mass Spectrometry Platform

Of all the molecules thought to exist in the universe, it is estimated that researchers only know the chemical structures of 5% of them. Identifying the chemical structures of the remaining 95% has proven extremely challenging because many molecules exhibit low abundance, are contained in small volumes (e.g., <10 nL), do not readily ionize, exhibit similar structures to other molecules, etc. No single analytical technique exists to definitively identify the structure of an unknown molecule, and thus multiple different molecular measurements are typically made (i.e., multi-modal approach). Ion mobility (IMS) and mass spectrometry (MS) are two key tools that researchers use to determine the chemical structures of unknown molecules, and recently high-resolution and ultrahigh resolution IMS-MS instruments have provided greater confidence than ever before. However, HR-IMS-MS instruments typically exhibit low ion utilization efficiency, meaning they require large amounts of sample for an analysis (e.g., >10 µL). Unfortunately, this limitation prohibits the analysis of small volume samples where many unknown molecules exist. Described herein are the efforts made to enable the analysis of ultralow volumes with an HR-IMS-MS platform. A new scanning technique, termed a ‘stuttered traveling wave scan’, was developed as a replacement for the dual-gated scanning technique and works by halting the traveling waves after allowing ions to separate and then repeatedly restarting and stopping the traveling waves to incrementally move ions from the SLIM to the Orbitrap. Ions were stored inside the SLIM while the TWs were stopped, allowing the Orbitrap to perform high-resolution mass analysis. When the Orbitrap was ready, the TWs were restarted for short periods of time (<10 ms) to move ions from the SLIM to the Orbitrap. It was discovered that lower TW amplitudes and speeds than used during IMS separation were required to produce IMS peaks with the highest signal intensities and best resolving powers. The stuttered TW scan was found to produce similar resolutions and signal intensities compared to the dual-gated scanning technique. A new IMS design possessing an intersecting ‘tee’ with a reversible traveling wave was also developed to improve ion utilization efficiency during cyclic operation, which is necessary when only a single IMS spectrum can be acquired, such as when analyzing ultralow volume samples. The new capabilities described in this report lay the groundwork for acquiring HR-IMS-MS spectra of ultralow volume biological samples, such as single cells, where HR-IMS-MS can help elucidate the structures of unknown compounds.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2022

Advanced Finite-Volume Numerics and Source Term Assumptions for Kernel and G-Equation Modelling of Propane/Air Flames

Here G-Equation models represent propagating flame fronts with an implicit two-dimensional surface representation (level-set). Level-set methods are fast, as transport source terms for the implicit surface can be solved with finite-volume operators on the finite-volume domain, without having to build the actual surface. However, they include approximations whose practical effects are not properly understood. In this study, we improved the numerics of the FRESCO CFD code’s G-Equation solver and developed a new method to simulate kernel growth using signed distance functions and the analytical sphere-mesh overlap. We analyzed their role for simulating propane/air flames, using three well-established constant-volume configurations: a one-dimensional, freely propagating laminar flame; a disc-shaped, constant-volume swirl combustor; and torch-jet flame development through an orifice from a two-chamber device. We tested the explicit (sub-cycled) vs. implicit formulation for the standard transport operators (advection, diffusion, compressibility). In addition to the accurate flame swept-volume method for chemistry and species source term, we developed a more accurate estimator for the burnt/unburnt split cell composition. Then, we developed a signed-distance-function (SDF) based method which provides a more stable reinitialization of the level-set field at every time-step. We found that simplifying assumptions common to several G-Equation implementations, for straightforward terms such as compressibility and advection, lead to large errors in predicting the propagation of even laminar flames, with deviations up to ~300% in simulated vs. formulated flame speed. Conversely, the enhanced numerics enabled through the SDF field reinitialization and improved chemistry source term improve simulation stability and smooth flame propagation even with significantly larger solver time-steps.

42 ENGINEERING↗
NASA NTRS1974

Thermodynamic properties derived from the free volume model of liquids

An equation of state and expressions for the isothermal compressibility, thermal expansion coefficient, heat capacity, and entropy of liquids have been derived from the free volume model partition function suggested by Turnbull. The simple definition of the free volume is used, and it is assumed that the specific volume is directly related to the cube of the intermolecular separation by a proportionality factor which is found to be a function of temperature and pressure as well as specific volume. When values of the proportionality factor are calculated from experimental data for real liquids, it is found to be approximately constant over ranges of temperature and pressure which correspond to the dense liquid phase. This result provides a single-parameter method for calculating dense liquid thermodynamic properties and is consistent with the fact that the free volume model is designed to describe liquids near the solidification point.

Miller, R. I.↗