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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.

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All sourcesNASA NTRSDOE OSTI
DOE OSTI2016

Performance of pile-up mitigation techniques for jets in pp collisions at √s=8 TeV using the ATLAS detector

The large rate of multiple simultaneous proton–proton interactions, or pile-up, generated by the Large Hadron Collider in Run 1 required the development of many new techniques to mitigate the adverse effects of these conditions. This paper describes the methods employed in the ATLAS experiment to correct for the impact of pile-up on jet energy and jet shapes, and for the presence of spurious additional jets, with a primary focus on the large 20.3 fb -1 data sample collected at a centre-of-mass energy of $\sqrt{s}$ = 8TeV. The energy correction techniques that incorporate sophisticated estimates of the average pile-up energy density and tracking information are presented. Jet-to-vertex association techniques are discussed and projections of performance for the future are considered. Lastly, the extension of these techniques to mitigate the effect of pile-up on jet shapes using subtraction and grooming procedures is presented.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2016

Different approaches to modeling the LANSCE H{sup −} ion source filament performance

An overview of different approaches to modeling of hot tungsten filament performance in the Los Alamos Neutron Science Center (LANSCE) H{sup −} surface converter ion source is presented. The most critical components in this negative ion source are two specially shaped wire filaments heated up to the working temperature range of 2600 K–2700 K during normal beam production. In order to prevent catastrophic filament failures (creation of hot spots, wire breaking, excessive filament deflection towards source body, etc.) and to improve understanding of the material erosion processes, we have simulated the filament performance using three different models: a semi-empirical model, a thermal finite-element analysis model, and an analytical model. Results of all three models were compared with data taken during LANSCE beam production. The models were used to support the recent successful transition from the beam pulse repetition rate of 60 Hz–120 Hz.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2020

Radiation damage and dose limits in serial synchrotron crystallography at cryo- and room temperatures

Radiation damage limits the accuracy of macromolecular structures in X-ray crystallography. Cryogenic (cryo-) cooling reduces the global radiation damage rate and, therefore, became the method of choice over the past decades. The recent advent of serial crystallography, which spreads the absorbed energy over many crystals, thereby reducing damage, has rendered room temperature (RT) data collection more practical and also extendable to microcrystals, both enabling and requiring the study of specific and global radiation damage at RT. Here, we performed sequential serial raster-scanning crystallography using a microfocused synchrotron beam that allowed for the collection of two series of 40 and 90 full datasets at 2- and 1.9-Å resolution at a dose rate of 40.3 MGy/s on hen egg white lysozyme (HEWL) crystals at RT and cryotemperature, respectively. The diffraction intensity halved its initial value at average doses ( D 1/2 ) of 0.57 and 15.3 MGy at RT and 100 K, respectively. Specific radiation damage at RT was observed at disulfide bonds but not at acidic residues, increasing and then apparently reversing, a peculiar behavior that can be modeled by accounting for differential diffraction intensity decay due to the nonuniform illumination by the X-ray beam. Specific damage to disulfide bonds is evident early on at RT and proceeds at a fivefold higher rate than global damage. The decay modeling suggests it is advisable not to exceed a dose of 0.38 MGy per dataset in static and time-resolved synchrotron crystallography experiments at RT. This rough yardstick might change for proteins other than HEWL and at resolutions other than 2 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Direct Recycling of Blended Cathode Materials by Froth Flotation

We report that direct Li-ion battery recycling involves separating cathode active materials in the solid phase while preserving their electrochemical performance. To reuse the recycled ones in new batteries, it is necessary to separate individual cathode components, which would typically occur prior to the rejuvenation and any compositional reformulation processes. Herein, a froth flotation process is developed to separate pristine lithium nickel-manganese-cobalt oxide (LiNi 0.333 Mn 0.333 Co 0.333 O 2 , NMC111) and lithium manganese oxide (LMO) materials. The flotation results show that with multiple stages of the separation processes, a satisfactory separation is achieved with 95% grade or above of NMC111 in the froth product and 95% grade of LMO in the tailing product. The electrochemistry results show that the flotation chemicals have negligible impact on the electrochemical performance of recycled active materials, whereas the NMC111 exhibits a minor capacity fade after being in contact with deionized water at 2% solid concentration. An improvement in both the rate and cycling performance is achieved at 10% solid concentration or higher. It is found that there is little compositional and structural change to the aqueous recycled NMC111 powders. An effective and low-cost separation method for direct recycling mixed cathode compositions is demonstrated.

25 ENERGY STORAGE↗
DOE OSTI2019

Retrospective comparison of outcomes and associated complications between large bore radiologically inserted gastrostomy tube types

Purpose: Multiple approaches to radiologically inserted gastrostomy (RIG) exist. The goal of this study was to compare 30-day outcomes and associated complications between large bore balloon-retained (BR), loop-retained (LR), and pull-type (PT) RIG devices. Methods: Data on 1477 patients who underwent RIG between January 1, 2005 and December 31, 2016 were collected retrospectively using a dedicated interventional radiology database and electronic medical record. Statistical analysis was performed to compare complication rates between BR, LR, and PT devices. Results: Ninety-eight percent (1477/1507) of the procedures were successfully performed. A total of 752 BR, 323 LR, and 402 PT gastrostomy tubes were placed. The overall complication rate for BR catheters was 5.7% (25 major [3.3%] and 18 minor [2.4%]). The overall complication rate for PT catheters was 3.7% (8 major [2.0%] and 7 minor [1.7%]). The overall complication rate for LR catheters was 1.6% (4 major [1.4%] and 1 minor [0.8%]). Compared to BR catheters, LR catheters had significantly fewer total complications (P = 0.01) but not minor complications (P = 0.052). There were no significant differences in the number of complications between LR and PT catheters or between BR and PT catheters. Conclusions: Use of BR, LR, and PT devices for RIG is safe with a low incidence of complications. Compared to BR catheters, primary insertion of a LR gastrostomy was associated with significantly fewer overall complications within the first 30 days. Therefore, for initial tube placement, large bore LR catheters may be preferred over BR devices.

62 RADIOLOGY AND NUCLEAR MEDICINE↗
DOE OSTI2018

Length-scale-dependent nanoindentation creep behaviour of Ti/Al multilayers by magnetron sputtering

This study presented length-scale-dependent room temperature creep behaviour of Ti/Al multilayers by nanoindentation. Ti/Al multilayers with individual layer thickness ranging from 10 nm to 250 nm were prepared by a direct current magnetron sputtering method. Microstructural analysis showed that the prepared Ti/Al multilayers were polycrystalline, with strong Ti (0002) and Al (111) texture. Nanoindentation creep tests were performed to examine the time-dependent creep deformation, stress exponent, creep strain rate sensitivity and contact creep compliance of the multilayers at room temperature. It was found that both the maximum creep deformation and the creep strain rate sensitivity increase with an increase in the individual layer thickness, indicating a length-scale-dependent creep behaviour of the Ti/Al multilayers. The values of stress exponent were found to lay in the range of 15.74–61.46, implying that the creep behaviour of the multilayers was controlled by the dislocation creep mechanism. Finally, the contact creep compliances of the Ti/Al multilayers were well modelled by a two-element Kelvin-Voigt model. From this, it was determined that the creep numbers and retardation times increased with increased individual layer thickness.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2016

Computer simulation of methanol exchange dynamics around cations and anions

In this paper, we present the first computer simulation of methanol exchange dynamics between the first and second solvation shells around different cations and anions. After water, methanol is the most frequently used solvent for ions. Methanol has different structural and dynamical properties than water, so its ion solvation process is different. To this end, we performed molecular dynamics simulations using polarizable potential models to describe methanol-methanol and ion-methanol interactions. In particular, we computed methanol exchange rates by employing the transition state theory, the Impey-Madden-McDonald method, the reactive flux approach, and the Grote-Hynes theory. We observed that methanol exchange occurs at a nanosecond time scale for Na+ and at a picosecond time scale for other ions. We also observed a trend in which, for like charges, the exchange rate is slower for smaller ions because they are more strongly bound to methanol. This work was supported by the US Department of Energy, Office of Science, Office of Basic Energy Sciences, Division of Chemical Sciences, Geosciences, and Biosciences. The calculations were carried out using computer resources provided by the Office of Basic Energy Sciences.

Roy, Santanu↗
DOE OSTI2022

Classifying handedness in chiral nanomaterials using label error robust deep learning

Abstract High-throughput scanning electron microscopy (SEM) coupled with classification using neural networks is an ideal method to determine the morphological handedness of large populations of chiral nanoparticles. Automated labeling removes the time-consuming manual labeling of training data, but introduces label error, and subsequently classification error in the trained neural network. Here, we evaluate methods to minimize classification error when training from automated labels of SEM datasets of chiral Tellurium nanoparticles. Using the mirror relationship between images of opposite handed particles, we artificially create populations of varying label error. We analyze the impact of label error rate and training method on the classification error of neural networks on an ideal dataset and on a practical dataset. Of the three training methods considered, we find that a pretraining approach yields the most accurate results across label error rates on ideal datasets, where size and other morphological variables are held constant, but that a co-teaching approach performs the best in practical application.

36 MATERIALS SCIENCE↗
DOE OSTI2016

A volatile fluid assisted thermo-pneumatic liquid metal energy harvester

A close-cycle self-driving thermal energy harvester using liquid metal as energy carrier fluid has been proposed. The driving force that pushes the liquid metal against flow resistance and gravity is provided by a resistively heated volatile fluid based on thermo-pneumatic principle. The tested harvester prototype demonstrated its capability to extract thermal energy between small temperature gradient, at a scale of 10 °C. During a 5-h operation, it further demonstrated robust liquid metal recirculating performance at a time-average volume flow rate of 14 ml/min with a 12.25 W heating load. The prototype also managed to self-adjust to variable working conditions which indicated the reliability of this method. Advantages of this method include simple-structural design, rigid-motion free operation, and low-temperature actuation. These advantages make it uniquely suited for solar energy and low-grade heat harvesting, high heat flux electronics cooling, as well as autonomous machines actuating.

42 ENGINEERING↗
DOE OSTI2014

Classifier-guided sampling for discrete variable, discontinuous design space exploration: Convergence and computational performance

A classifier-guided sampling (CGS) method is introduced for solving engineering design optimization problems with discrete and/or continuous variables and continuous and/or discontinuous responses. The method merges concepts from metamodel-guided sampling and population-based optimization algorithms. The CGS method uses a Bayesian network classifier for predicting the performance of new designs based on a set of known observations or training points. Unlike most metamodeling techniques, however, the classifier assigns a categorical class label to a new design, rather than predicting the resulting response in continuous space, and thereby accommodates nondifferentiable and discontinuous functions of discrete or categorical variables. The CGS method uses these classifiers to guide a population-based sampling process towards combinations of discrete and/or continuous variable values with a high probability of yielding preferred performance. Accordingly, the CGS method is appropriate for discrete/discontinuous design problems that are ill-suited for conventional metamodeling techniques and too computationally expensive to be solved by population-based algorithms alone. In addition, the rates of convergence and computational properties of the CGS method are investigated when applied to a set of discrete variable optimization problems. Results show that the CGS method significantly improves the rate of convergence towards known global optima, on average, when compared to genetic algorithms.

42 ENGINEERING↗
DOE OSTI2026

Resilience of the surface code to error bursts

Quantum error correction works effectively only if the error rate of gate operations is sufficiently low. However, some rare physical mechanisms can cause a temporary increase in the error rate that affects many qubits; examples include ionizing radiation in superconducting hardware and large deviations in the global control of atomic systems. We refer to such rare transient spikes in the gate error rate as error bursts. In this work, we investigate the resilience of the rotated surface code to generic error bursts. We assume that, after appropriate mitigation strategies, the spike in the error rate lasts for only a single syndrome-extraction cycle; we also assume that the enhanced error rate is uniform across the code block. Under these assumptions, and for a circuit-level depolarizing noise model, we perform Monte Carlo simulations to determine the regime in burst error rate and background error rate for which the memory time becomes arbitrarily long as the code block size grows. Our results indicate that suitable hardware mitigation methods combined with standard decoding methods may suffice to protect against transient error bursts in the rotated surface code.

Quantum error correction↗
DOE OSTI2016

SU-F-T-27: A Comparative Case Study Among Four Modalities for the Superficial Treatment of Squamous Cell Carcinoma

Purpose: We performed a comparative planning study among High Dose Rate (HDR) brachytherapy, superficial electrons, Volume Modulated Arc Therapy (VMAT), and Helical IMRT (Tomotherapy) for squamous cell carcinoma of the abdominal wall with consideration for the underlining bowel. Methods: A 69-year old female presented with squamous cell carcinoma protruding 8mm beyond the anterior skin surface of the midabdomen was considered for treatment. The patient had a ventral hernia which resulted in the reduction of the abdominal wall thickness and the adjacent small bowel being the dose limiting structure. Four plans were generated using different treatment modalities: a) an enface electron field (eMC, Eclipse v. 11), b) Tomotherapy (HI-Art II v.5.0.5), c) VMAT (Acuros, Eclipse v. 11), and d) HDR using a Freiburg applicator (Oncentra v. 4.3). The following plan objectives were used for all four plans: for the CTV target, V90% ≥90% (61.8Gy2/2).For the small bowel, D0.1cc < 56.2 Gy2/2 was a hard constraint and expressed as a percentage of the prescription for comparison to demonstrate the dose fall-off achieved among the modalities.For HDR, V200% <0.1cc was an additional constraint. Multiple dosimetric parameters, including those listed above, were compared among the four modalities. Results: The HDR plan showed comparable target coverage compared to the Tomotherapy plan and better coverage compared to the electron plan. Small bowel doses (D0.1cc) were lower in HDR plan compared to Tomotherapy, electron, & VMAT plans (88.8%, 89.6%, 90.9%, & 96.6%). Integral dose to the whole body (V5%) was much higher for HDR, VMAT, and Tomotherapy when compared to electron plan by factors of seven, eight, and ten, respectively. After reviewing all treatment modalities, the physician selected HDR owing to better control of the small bowel dose while maintaining adequate target coverage. Conclusion: This case study demonstrated HDR can successfully treat superficial lesions with superior sparing of underlying structures.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2019

Is Routine Splenectomy Justified for All Left-Sided Pancreatic Cancers? Histological Reappraisal of Splenic Hilar Lymphadenectomy

Background: Although splenectomy is recommended during resection for left-sided resectable pancreatic ductal adenocarcinoma (PDAC) to perform lymphadenectomy of station 10 (splenic hilum), no level I evidence justifies this procedure. This study aims to evaluate the rate of lymph node (LN) and contiguous involvement of the splenic hilum in resectable distal PDAC. Methods: We retrospectively reviewed all patients who underwent splenopancreatectomy for PDAC in the past 10 years. Station 10 LN were routinely isolated, and all corresponding microscopic slides were reinterpreted by a pathologist. The computed tomography (CT) results of patients with tumoral involvement of the spleen or splenic hilum by contiguity (TISOSH) and ≤ 10 mm between the tumor and spleen on pathology were blindly reviewed by two radiologists to evaluate CT for diagnosis of TISOSH. Results: We included 110 consecutive patients, including 104 with analyzable station 10 LN. The tumor was N+ in 58 (53%) patients. The median number of LN identified at station 10 was 2.0 ± 3.0. No station 10 LNs were detected in 42 (40%) patients. No patients had tumor-positive LN at station 10. TISOSH was found in nine (8%) patients, and was significantly associated with tail location (p = 0.001), tumor size (p = 0.005), and multivisceral involvement (p = 0.015). For diagnosis of TISOSH, the sensitivity and specificity of CT were respectively 89% and 95% for radiologist 1 and 89% and 100% for radiologist 2. Conclusions: Splenic preservation during resection of distal PDAC may be an option in selected patients with body tumors and no suspected splenic or splenic hilum involvement on preoperative CT.

62 RADIOLOGY AND NUCLEAR MEDICINE↗
DOE OSTI2019

Overuse of Preoperative Staging of Patients Undergoing Neoadjuvant Chemotherapy for Breast Cancer

Background: Guidelines of the American Society of Clinical Oncology (ASCO), the National Comprehensive Cancer Network (NCCN), and the European Society for Medical Oncology (ESMO) discourage the use of imaging to stage newly diagnosed early breast cancer (stages 1 and 2). This study aimed to evaluate preoperative staging imaging rates among patients with stage 1 or 2 breast cancer treated with neoadjuvant chemotherapy (NAC). Methods: From a prospectively maintained database, 303 patients with stage 1 or 2 breast cancer who had NAC from 2008 to 2016 were identified. The main outcome measures were the rate and outcomes of staging imaging performed. Results: The mean age of the 303 patients with stage 1 or 2 breast cancer was 51 years (range, 26–87 years). Of these 303 patients, 278 (92.4%) had invasive ductal cancer. 90 (30.2%) had estrogen receptor (ER)-positive disease, 79 (26.5%) had triple-negative disease, and 127 (42.6%) had human epidermal growth factor receptor 2 (HER2)-positive disease. Staging positron emission tomography (PET) or computed tomography (CT) scan was performed for 258 patients (85.2%), brain imaging for 94 patients (31%), bone scans for 117 patients (38.6%), and all three for 48 patients (15.8%). As a result, 15 patients (4.9%) with a positive PET/CT scan were upstaged to stage 4 breast cancer. No difference was observed among the ER-positive (p = 1.000), HER2-positive (p = 0.259), or triple-negative (p = 0.369) receptor profiles of the patients upstaged to stage 4 disease. One patient (1.1%) had positive brain imaging. Five patients (4.3%) had a positive bone scan, and three of these patients (60%) had bone metastasis also shown on the PET/CT scan. Conclusion: Despite guideline recommendations, a high rate of preoperative staging imaging is completed for patients with clinical stage 1 or 2 breast cancer who receive NAC, with few positive results.

62 RADIOLOGY AND NUCLEAR MEDICINE↗
DOE OSTI2014

Dynamic Surface Tension and Diffusivity Measurements of NG-CSSX Next Generation Solvent

Since 2008, the Savannah River Site has processed more than four million gallons of radioactive supernatant. To continue compliance with downstream processes, MCU is switching to the improved solvent called Next Generation Solvent (NG-CSSX). The new solvent formulation promises higher cesium removal efficiency and laboratory testing suggests the potential of higher processing rates. Similarly, laboratory testing demonstrated improvements in separation of the solvent from the effluent aqueous streams. To complete implementation at MCU, additional work was needed to develop methods that can measure physical properties relevant to the performance of the new solvent. This work measures two relevant physical properties: static interfacial tension and diffusvity. Both properties play a relevant role in mixing and separating immiscible liquids. This work evaluated the impact of changes in composition or aqueous phase on these physical properties to gauge the sensitivity of the system to the losses of chemical components.

Fondeur, F. F.↗
NASA NTRS1972

Digital-computer normal shock position and restart control of a Mach 2.5 axisymmetric mixed-compression inlet

Digital computer control of a mixed-compression inlet is discussed. The inlet was terminated with a choked orifice at the compressor face station to dynamically simulate a turbojet engine. Inlet diffuser exit airflow disturbances were used. A digital version of a previously tested analog control system was used for both normal shock and restart control. Digital computer algorithms were derived using z-transform and finite difference methods. Using a sample rate of 1000 samples per second, the digital normal shock and restart controls essentially duplicated the inlet analog computer control results. At a sample rate of 100 samples per second, the control system performed adequately but was less stable.

Neiner, G. H.↗
NASA NTRS1982

Control systems synthesis for a large flexible space antenna

The problem of control systems synthesis is considered for controlling the rigid-body attitude and elastic motion of a large deployable space-based antenna. Two methods for control systems synthesis are considered. The first method utilizes the stability and robustness properties of the controller consisting of torque actuators and collocated attitude and rate sensors. The second method is based on the linear-quadratic-Gaussian (LQG) control theory. A combination of the two methods, which results in a two-level hierarchical control system, is also briefly discussed. The performance of the controllers is analyzed by computing the variances of pointing errors, feed misalignment errors and surface contour errors in the presence of sensor and actuator noise.

Joshi, S. M.↗