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All sourcesNASA NTRSDOE OSTI
DOE OSTI2021

Pilot-Scale Testing of an Integrated Circuit for the Extraction of Rare Earth Minerals and Elements from Coal and Coal Byproducts Using Advanced Separation Technologies

The primary objective of this project was to develop and demonstrate an integrated pilot-scale circuitry for recovering high-value rare earth elements (REEs) from coal and coal byproducts. The target performance was to produce a mixed REE product with content of at least two percent by weight on a dry mass basis in a cost-effective and environmentally benign manner. During the first nine months of the project period (Phase 2 Budget Period 2), pilot plant construction was completed including all field site startup activities such as permitting, engineering design, procurement/bidding, unit fabrication, site construction, equipment installation, module assembly, safety training, and circuit shakedown. During the remaining 21 months of project period (Phase 2 Budget Period 3), detailed field-testing activities were performed including feedstock sample collection and preparation, exploratory testing, circuit modification, detailed parametric study, and performance optimization. A detailed techno-economic analysis was performed based on the pilot plant testing findings which provided various scenarios for REE production. The project successfully accomplished the proposed target performance by producing mixed rare earth oxide (REO) with greater than 90% purity by weight in a continuous pilot scale operation from two distinctly different coarse refuse materials (i.e., West Kentucky No. 13 and Fire Clay coal seams), and at least three secondary sources (i.e., heap leach process and naturally formed acid mine drainage system). Project partners included the University of Kentucky, Virginia Tech, West Virginia University, Alliance Coal, Blackhawk Mining, Mineral Refining Company, and Mineral Separation Technologies. The pilot scale test facility was constructed at a former mining complex owned by Alliance Natural Resource Partners (Alliance Coal). The site was rehabilitated to accommodate the equipment installation, construction and fabrication, electrical power requirement, water line management and containment. The process units constructed and installed included X-ray sorting unit, crushing and grinding unit, physical separation unit, acid leaching unit, solvent extraction unit, and wastewater management unit. A rare earth mineral concentration unit was constructed as a standalone unit for flexible operation. A detailed environmental assessment and control plan was carried out to identify and quantify any potential impacts of the pilot-scale processing circuitry on the human and eco-system health and well-being. Corresponding mitigation strategies and control measures were provided. A conceptual flowsheet was developed to effectively remove thorium and uranium from high purity rare earth oxide mix or any potential radionuclide enriched stream. The two distinct feedstock materials were secured from the Blackhawk Mining Complex in eastern Kentucky where the Fire Clay (Hazard No. 4) seam is processed. The West Kentucky No. 13 (Baker) coarse refuse material was collected from an active process stream at an Alliance coal preparation plant located in western Kentucky. Characterization analysis indicated that both of feed materials generated from the two sources contained >300 ppm of TREEs on a dry whole mass basis which met the requirements for a qualified feed stock. The two feedstocks were further upgraded using a dual x-ray sorter to prepare the feed material for hydrometallurgical circuit. Thermal treatment on feed material prior to leaching was found to: 1) improve the leaching recovery of REEs, 2) increase the leaching kinetics, and 3) allow the leaching reaction to occur at lower acidity. Roasting at 600°C was selected as the pre-treatment condition for both West Kentucky No. 13 and Fire Clay coarse refuse material. Over 40% of leaching recovery was achieved by roasting West Kentucky No. 13 material having a top particle size of 3 mm in the pilot scale operation using 1.2M sulfuric acid leaching at 75OC. Initial pilot scale testing involved continuous operation of the pilot plant for 94 hours. The leaching unit was operated at solid-to-liquid ratio of 1 to 10 (w/v) using 0.5M sulfuric acid solution at a temperature of 75°C. The continuous solvent extraction circuit utilized rougher and cleaner units with DEHPA and TBP as the extractants. An innovative stripping circuit was developed to accumulate the REE concentration in the stripping solution to a level above 600 ppm. A bleed stream from the recycled strip solution was treated using oxalic acid precipitation which produced a high grade rare earth oxalate. The oxalate product was roasted to remove the oxalate which produced a rare earth oxide product having a purity greater 90%. Due to high concentrations of contaminant ions in the pregnant leach solution (PLS), a modified flowsheet was developed that involved pre-concentration of the REEs using multiple stages of precipitation and redissolution. The advantage of this process was improved removal of contamination before the downstream purification process and a significant cost reduction relative to the circuit that utilized the solvent extraction process. The modified circuitry included processes involving leaching, multistage precipitation, redissolution, and oxalate precipitation followed by roasting of the oxalate product. The circuit produced a mixed REO that was 92.96% pure from the initial test. A detailed parametric test plan was carried out which involved varying key parameters including solids feed rate, acid flowrate, acid concentration, multistage precipitation pH, redissolution pH, oxalate precipitation dosage and pH. The response variables included REE recovery, contaminant recovery, REO product grade and overall chemical consumption. Test results indicated that the acid-to-solid ratio is the key parameter to leaching efficiency as performance deteriorated with an increase in solids concentration. The optimal pH determined for REE precipitation and redissolution was 6.5 and 2.5, respectively. Additional tests were conducted to further improve the flowsheet. Recirculating a portion of the PLS to the feed of the leach tanks improved the leaching performance by lowering the pH of the leaching system and reducing the contamination recovery by shortening the residence time. Moreover, the removal of Al prior to REE precipitation significantly reduced the oxalic acid consumption in the oxalate precipitation circuit. The modified circuit produced over 90% grade REO by weight from both West Kentucky No. 13 and Fire Clay coarse refuse material in pilot scale continuous test programs. A case analysis model was developed to project the REE and major contaminants concentration in each PLS stream based on the leaching condition, pH cut point, and oxalic acid dosage. A correlation was established using empirical and semi-empirical models. Using the models, chemical consumption required for each stage was predicted based on the projected performance of the hydrometallurgy circuit. After identifying the optimum conditions, validation tests were carried out for the treatment of both West Kentucky No. 13 and Fire Clay coarse refuse materials in the pilot plant. The actual circuit performance and chemical consumptions were very close to the model predictions. Other than the two coarse refuse sources, several secondary feedstocks were also tested in the pilot plant facility. A “heap leach” system was constructed using the coarse refuse material generated from cleaning the West Kentucky No. 13 seam coal. Using the two stage SX rougher and cleaner circuit, a concentrate with a grade >90% REO was produced while recovering >97% of the REEs from the heap leach PLS. Naturally generated acid mine drainage (AMD) from West Kentucky No.13 mine was processed using the multistage precipitation circuit in the pilot plant in a test conducted for a period of 32 hours. The final grade of the mix RE oxide produced from the AMD was 90.84% with an overall circuit recovery of 64%. The primary source of REE was the selective precipitation steps involving iron and aluminum rejection. The hydrophobic-hydrophilic separation (HHS) process was proven to effectively recover coal from fine waste materials. For REM recovery, the HHS process was able to produce concentrates at grades of approximately 1.8% REE on an ash basis; however, recovery values were typically low, <10%, under the optimal conditions determined in the laboratory-scale testing. Staged testing of the pilot-scale HHS process for coal recovery and semi-continuous laboratory testing for REM testing showed that a total concentration ratio of more than 15x was observed for the REM recovery process. A circuit simulation package was developed for REE extraction and purification using a spreadsheet-based platform (Microsoft Excel). The REESim circuit simulation package is configured to track the mass and volume flows of components passing through a series of unit operations specified and configured by the user. The mass rates can then be utilized by the user to determine important performance indicators such as product mass yields, concentrate purity levels, element-by-element recoveries, and so forth. The techno-economic analysis showed that the roasting and leaching operations were the most expensive capital items, each contributing approximately 30% to the total capital cost. One notable contributor to the high production costs was the low REE recovery observed in the pilot scale trials. The product basket price was shown to have a strong influence on the economic viability of the scenarios, with the scandium price being the most significant influencer. Operating cost was shown to be extremely sensitive to REE recovery, REE feed grade, and leaching acid consumption. An analysis of ten different scenarios for a 500 t/h commercial operation revealed that three were economically favorable, producing internal rates of return varying from 27.7% to 33.1% and payback periods of 4 to 5 years. The project successfully developed and demonstrated a process to recover REEs from coal and coal byproducts in a pilot-plant operation which consistently produced over 90% grade REO mix from varies types of feedstocks. Commercialization analysis showed that the technology readiness level successfully achieved TRL 6 at the end of the project and demonstrated the need and the potential for scaling the process to further advance the technologies toward the goal of providing a domestic supply of REEs at a commercial scale.

01 COAL, LIGNITE, AND PEAT↗
DOE OSTI2025

Utilization of Data Augmentation Techniques in Automated Inspection Systems for Defect Detection in Metals With Limited Data

Accurate identification of defects on metal surfaces is of great interest to many industry sectors, such as the automotive and aerospace industries. In contrast to conventional manual inspection techniques, recent automated inspection systems employ deep learning models trained to detect defects rapidly and precisely. The development of these models often requires a substantial image dataset to acquire adequate knowledge of defect features and enhance their predictive accuracy. When data is limited, augmentation techniques are often used to improve the precision and accuracy of defect detection systems. This study examined the prediction performance of two object detection models, namely Faster Region‐based Convolutional Neural Network (Faster R‐CNN) and You Only Look Once version 8 (YOLOv8), to identify dent defects in limited images of cast iron cylinder head surfaces. The original image set contains 46 images with 563 dents. To overcome limited data availability, common image augmentation techniques along with a copy‐paste method were applied. Results show that standard augmentation improved YOLOv8 accuracy by 8.00% and average precision (AP) by 3.00%. On the other hand, the copy‐paste technique achieved a 20.00% increase in accuracy and a 1% increase in AP with just 200 synthetic dents. Furthermore, these results provide support for using the copy‐paste augmentation strategy to enhance defect detection performance, with a limited dataset, contributing to more accurate defect identification in remanufacturing processes.

36 MATERIALS SCIENCE↗
NASA NTRS2012

International Space Station 2A Array Modal Analysis

On December 9th 2009, the International Space Station (ISS) 2A solar array mast experienced prolonged longeron shadowing during a Soyuz undocking. Analytical reconstruction of induced thermal and dynamic structural loads showed an exceedance of the mast buckling limit. Possible structural damage to the solar array mast could have occurred during this event. A Low fidelity video survey of the 2A mast showed no obvious damage of the mast longerons or battens. The decision was made to conduct an on-orbit dynamic test of the 2A array on December 18th, 2009. The test included thruster pluming on the array while photogrammetry data was recorded. The test was similar to other Dedicated Thruster Firings (DTFs) that were performed to measure structural frequency and damping of a solar array. Results of the DTF indicated lower frequency mast modes than model predictions, thus leading to speculation of mast damage. A detailed nonlinear analysis was performed on the 2A array model to assess possible solutions to modal differences. The setup of the parametric nonlinear trade study included the use of a detailed array model and the reduced mass and stiffness matrices of the entire ISS being applied to the array interface. The study revealed that the array attachment structure is nonlinear and thus was the source of error in the model prediction of mast modes. In addition, a detailed study was performed to determine mast mode sensitivity to mast longeron damage. This sensitivity study was performed to assess if the ISS program has sufficient instrumentation for mast damage detection.

Laible, Michael↗
DOE OSTI2023

Classroom aerosol dispersion modeling: experimental assessment of a low-cost flow simulation tool

The purpose of this study was to assess the utility of a low-cost flow simulation tool for an indoor air modeling application by comparing its outputs with the results of a physical experiment, as well as those from a more advanced computational fluid dynamics (CFD) software package. In this study, five aerosol dispersion tests were performed in two different classrooms by releasing a CO 2 tracer gas from six student locations. Resultant steady-state concentrations were monitored at 13 locations around the periphery of the room. Subsequently, the experiments were modeled using both a low-cost tool (SolidWorks Flow Simulation) and a more sophisticated tool (STAR-CCM+). Models were evaluated based on their ability to predict the experimentally measured concentrations at the 13 monitoring locations by calculating four performance parameters commonly used in the evaluation of dispersion models: fractional mean bias (FB), normalized mean-square error (NMSE), fraction of predicted value within a factor of two (FAC2), and normalized absolute difference (NAD). The more sophisticated model performed better in 15 of the 20 possible cases (five tests at four parameters each), with parameters meeting acceptance criteria in 19 of 20 cases. However, the lower-cost tool was only slightly worse, with parameters meeting acceptance criteria in 18 of 20 cases, and it performed better than the other tool in 3 of 20 cases. Because it provides useful results at a fraction of the monetary and training cost and is already widely accessible to many institutions, such a tool may be worthwhile for many indoor aerosol dispersion applications, especially for students or researchers just beginning CFD modeling.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2020

Predicting a Sharp Decline in Selectivity for Catalytic Esterification of Alcohols from van der Waals Interactions

Controlling the selectivity of catalytic reactions is a critical aspect of improving energy efficiency in the chemical industry; thus, predictive models are of key importance. Herein the performance of a heterogeneous, nanoporous Au catalyst is predicted for the complex catalytic self-coupling of the series of C 2 -C 4 alkyl alcohols, based solely on the known kinetics of the elementary steps of the catalytic cycle for methanol coupling, using scaling methods augmented by density functional theory. Notably, a sharp decrease in selectivity for ester formation with increasing molecular weight to favor the aldehyde due to van der Waals interactions of reaction intermediates with the surface was predicted and subsequently verified quantitatively by experiment. Furthermore, the agreement between theory and experiment clearly demonstrates the efficacy of this approach for building a predictive model of catalytic behavior for a homologous set of reactants using a small set of experimental information.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2020

Predicting a Sharp Decline in Selectivity for Catalytic Esterification of Alcohols from van der Waals Interactions

Controlling the selectivity of catalytic reactions is a critical aspect of improving energy efficiency in the chemical industry; thus, predictive models are of key importance. Herein the performance of a heterogeneous, nanoporous Au catalyst is predicted for the complex catalytic self-coupling of the series of C 2 –C 4 alkyl alcohols, based solely on the known kinetics of the elementary steps of the catalytic cycle for methanol coupling, using scaling methods augmented by density functional theory. Notably, a sharp decrease in selectivity for ester formation with increasing molecular weight to favor the aldehyde due to van der Waals interactions of reaction intermediates with the surface was predicted and subsequently verified quantitatively by experiment. Further, the agreement between theory and experiment clearly demonstrates the efficacy of this approach for building a predictive model of catalytic behavior for a homologous set of reactants using a small set of experimental information.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS2013

Preliminary Experiments for the Assessment of V/W-band Links for Space-Earth Communications

Since September 2012, NASA Glenn Research Center has deployed a microwave profiling radiometer at White Sands, NM, to estimate atmospheric propagation effects on communications links in the V and W bands (71-86GHz). Estimates of attenuation statistics in the millimeter wave due to gaseous and cloud components of the atmosphere show good agreement with current ITU-R models, but fail to predict link performance in the presence of moderate to heavy rain rates, due to the inherent limitations of passive radiometry. Herein, we discuss the preliminary results of these measurements and describe a design for a terrestrial link experiment to validate/refine existing rain attenuation models in the V/Wbands.

propagation↗
NASA NTRS2013

Preliminary Experiments for the Assessment of VW-Band Links for Space-Earth Communications

Since September 2012, NASA Glenn Research Center has deployed a microwave profiling radiometer at White Sands, NM, to estimate atmospheric propagation effects on communications links in the V and W bands (71-86GHz). Estimates of attenuation statistics in the millimeter wave due to gaseous and cloud components of the atmosphere show good agreement with current ITU-R models, but fail to predict link performance in the presence of moderate to heavy rain rates, due to the inherent limitations of passive radiometry. Herein, we discuss the preliminary results of these measurements and describe a design for a terrestrial link experiment to validaterefine existing rain attenuation models in the VW-bands.

terrestrial milimeterwave experiments↗
DOE OSTI2020

On Performance Prediction of Big Data Transfer in High-performance Networks

Big data generated by large-scale scientific and industrial applications need to be transferred between different geographical locations for remote storage, processing, and analysis. High-speed dedicated connections provisioned in High-performance Networks (HPNs) are increasingly utilized to carry out such big data transfer. HPN management highly relies on an important capability of performance (mainly throughput) prediction to reserve sufficient bandwidth and meanwhile avoid over-provisioning that may result in unnecessary resource waste. This capability is critical to improving the resource (mainly bandwidth) utilization of dedicated connections and meeting various user requests for data transfer. Conventional methods conduct performance prediction by fitting prior observed transfer history with predefined loss functions, without considering unobservable latent factors such as competing loads on end hosts. Such latent factors also have a significant impact on the application-level data transfer performance, which may result in an inaccurate prediction model. In this paper, we first investigate the impact of latent factors and propose a clustering-based method to eliminate their negative impact on performance prediction. We then develop a robust machine learning-based performance predictor by: i) incorporating the proposed latent factor elimination method into data preprocessing, and ii) adopting a customized domain guided loss function. Extensive experimental results show that our predictor achieves significantly higher prediction accuracy than several other state-of-the-art methods.

Liu, Wuji↗
DOE OSTI2026

Empirical Comparison of Machine Learning Approaches for Black-Box Modeling of Power Conversion System Dynamics

Inverter-based resources are key components in modern power systems, but accurately modeling their complex behavior can be challenging. Standard, generic converter models often oversimplify inverter dynamics, leading to significant errors in predicting performance. In this work, we compare several data-driven machine learning (ML) approaches for inverter modeling, performing experiments on power conversion systems, systematically varying input conditions, and recording the resulting voltages and currents. The ML models were then trained on this measured data to capture the inverter's dynamic response and to predict the inverter's output current. A performance comparison between the four ML models under study is conducted, laying the foundation for future work on hardware implementation for real-time inference.

30 DIRECT ENERGY CONVERSION↗
DOE OSTI2020

Multiscale Approach to Fast ModSim for Laser Processing of Metals for Future Nuclear Deterrence Environments

Predicting performance of parts produced using laser-metal processing remains an out- standing challenge. While many computational models exist, they are generally too computationally expensive to simulate the build of an engineering-scale part. This work develops a reduced order thermal model of a laser-metal system using analytical Green's function solutions to the linear heat equation, representing a step towards achieving a full part performance prediction in an "overnight" time frame. The developed model is able to calculate a thermal history for an example problem 72 times faster than a traditional FEM method. The model parameters are calibrated using a non-linear solution and microstructures and residual stresses calculated and compared to a non-linear case. The calibrated model shows promising agreement with a non-linear solution.

36 MATERIALS SCIENCE↗
NASA NTRS1984

Helicopter rotor performance degradation in natural icing encounter

The analytical model described by Korkan et al. (1982) for predicting the performance degradation of propellers in a natural icing encounter is used to determine the feasibility of predicting helicopter performance degradation in hover during natural icing. The flight condition selected for analysis involves an altitude of 3000 ft and a free-air temperature of 1 F. The values of degradation yielded by the model for rime ice accretion are representative of those experienced in actual flight.

Korkan, K. D.↗
NASA NTRS2018

Assessment of the Mars Helicopter Thermal Design Sensitivities Using the Veritrek Software

The Mars Helicopter will be a technology demonstration conducted during the Mars 2020 mission. The primary mission objective is to achieve several 90-second flights and capture visible light images via forward and nadir mounted cameras. These flights could possibly provide reconnaissance data for sampling site selection for other Mars surface missions. The helicopter is powered by a solar array, which stores energy in secondary batteries for flight operations, imaging, communications, and survival heating. The helicopter thermal design is driven by minimizing survival heater energy while maintaining compliance with allowable flight temperatures in a variable thermal environment. Due to the small size of the helicopter and its complex geometries, along with the fact that it operates with very low power and small margins, additional care had to be paid while planning thermal tests and designing the thermal system. A Thermal Desktop® model has been developed to predict the thermal system’s performance. A reduced-order model (ROM) created with the Veritrek software has been utilized to explore the sensitivities of the thermal system’s drivers, such as electronics dissipations, gas gaps, heat transfer coefficients, etc., as well as to assess and verify the final thermal design. This paper presents the performance of the Veritrek software products and the details of the ROM creation process. The results produced by Veritrek were utilized to study the effect of the major thermal design drivers and Mars environment on the Mars Helicopter in as little as 10 days, an effort that would have taken over 4 months using traditional thermal analysis techniques.

Hengeveld, Derek W.↗
NASA NTRS2003

Adaptation of Mesoscale Weather Models to Local Forecasting

Methodologies have been developed for (1) configuring mesoscale numerical weather-prediction models for execution on high-performance computer workstations to make short-range weather forecasts for the vicinity of the Kennedy Space Center (KSC) and the Cape Canaveral Air Force Station (CCAFS) and (2) evaluating the performances of the models as configured. These methodologies have been implemented as part of a continuing effort to improve weather forecasting in support of operations of the U.S. space program. The models, methodologies, and results of the evaluations also have potential value for commercial users who could benefit from tailoring their operations and/or marketing strategies based on accurate predictions of local weather. More specifically, the purpose of developing the methodologies for configuring the models to run on computers at KSC and CCAFS is to provide accurate forecasts of winds, temperature, and such specific thunderstorm-related phenomena as lightning and precipitation. The purpose of developing the evaluation methodologies is to maximize the utility of the models by providing users with assessments of the capabilities and limitations of the models. The models used in this effort thus far include the Mesoscale Atmospheric Simulation System (MASS), the Regional Atmospheric Modeling System (RAMS), and the National Centers for Environmental Prediction Eta Model ( Eta for short). The configuration of the MASS and RAMS is designed to run the models at very high spatial resolution and incorporate local data to resolve fine-scale weather features. Model preprocessors were modified to incorporate surface, ship, buoy, and rawinsonde data as well as data from local wind towers, wind profilers, and conventional or Doppler radars. The overall evaluation of the MASS, Eta, and RAMS was designed to assess the utility of these mesoscale models for satisfying the weather-forecasting needs of the U.S. space program. The evaluation methodology includes objective and subjective verification methodologies. Objective (e.g., statistical) verification of point forecasts is a stringent measure of model performance, but when used alone, it is not usually sufficient for quantifying the value of the overall contribution of the model to the weather-forecasting process. This is especially true for mesoscale models with enhanced spatial and temporal resolution that may be capable of predicting meteorologically consistent, though not necessarily accurate, fine-scale weather phenomena. Therefore, subjective (phenomenological) evaluation, focusing on selected case studies and specific weather features, such as sea breezes and precipitation, has been performed to help quantify the added value that cannot be inferred solely from objective evaluation.

Manobianco, John T.↗
DOE OSTI2021

Evaluation of U-net-based Image Segmentation Model to Digital Mammography

Detecting suspicious lesions in medical imaging is the important first step in computer-aided detection (CAD) systems. However, detecting abnormalities in breast tissue is difficult due to the lesion's varying size, shape, margin, and contrast with the background tissue. We focused on mass segmentation, a method that provides notable morphological features by outlining contours of masses. Accurate segmentation is crucial for correct diagnosis. Recent advancements in deep learning have improved object detection and segmentation, and these techniques are also being applied to medical imaging studies. We focused on U-net, which is a recently developed mass segmentation algorithm based on a fully convolutional network. The U-net architecture consists of (1) a contracting path to increase the resolution of the output and (2) a symmetric expanding path to better locate the region of interest. The performance of a U-net model was tested with 63 digital mammograms from INbreast, a publicly available database. We trained the model with images resized to 40x40 pixels and conducted 10-fold cross-validation to prevent overfitting. The model's performance with respect to breast density and the lesion's BI-RADS rating was also investigated. Dice coefficients (DC) were used as a performance measure to compare the predicted segmentation of the model with the ground truth. Logistic regression and an analysis of variance were performed to determine the significance of the DCs with regards to breast density and lesion behavior and to calculate the 95% confidence interval. The average DC was 0.80. The difference between DCs for BI-RADS 2 and 4c and for BI-RADS 2 and 5 were significant, suggesting that the model has more difficulty in segmenting benign lesions.

Cho, Priscilla↗
NASA NTRS2016

Structural, Thermal, and Optical Performance (STOP) Modeling and Results for the James Webb Space Telescope Integrated Science Instrument Module

The James Webb Space Telescope includes the Integrated Science Instrument Module (ISIM) element that contains four science instruments (SI) including a Guider. We performed extensive structural, thermal, and optical performance(STOP) modeling in support of all phases of ISIM development. In this paper, we focus on modeling and results associated with test and verification. ISIMs test program is bound by ground environments, mostly notably the 1g and test chamber thermal environments. This paper describes STOP modeling used to predict ISIM system performance in 0g and at various on-orbit temperature environments. The predictions are used to project results obtained during testing to on-orbit performance.

structural↗
DOE OSTI2025

Temperature-based reactive flow model for triaminotrinitrobenzene (TATB) plastic bonded explosives

A new reactive flow model is presented for triaminotrinitrobenzene (TATB)-based plastic bonded explosives, applicable to shock initiation and steady detonation problems of differing initial temperature. Temperature disequilibrium is assumed between unreacted explosive, material in the vicinity of compressed defects (called hot spots), and reaction products. The model incorporates temperature-dependent decomposition reaction rates. Particularly, Arrhenius model parameters were derived from quantum-based molecular dynamics simulations of TATB decomposition. Further, a model of detonation carbon aggregation is incorporated, describing the slow release of energy inherent to detonation in TATB-based materials. Model parameters were calibrated against gas gun shock initiation experiments and steady detonation rate stick tests. The predictive ability of the model in the shock initiation regime is tested against recent thin pulse experiments. The model is found to perform equally well in predicting the size-effect curve of ambient, cold, and hot rate sticks. The present work demonstrates the viability of incorporating results from subscale simulations into a continuum-scale reactive flow model.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS1986

Modeling of transient heat pipe operation

Mathematical models and associated solution procedures which can be used to design heat pipe cooled structures for use on hypersonic vehicles are being developed. The models should also have the capability to predict off-design performance for a variety of operating conditions. It is expected that the resulting models can be used to predict startup behavior of liquid metal heat pipes to be used in reentry vehicles, hypersonic aircraft, and space nuclear reactors. Work to date related to numerical solutions of governing differential equations for the outer shell and the combination capillary structure and working fluid is summarized. Finite element numerical equations using both implicit, explicit, and combination methods were examined.

Colwell, G. T.↗