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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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At least 793 records · Page 44
All sourcesNASA NTRSDOE OSTI
DOE OSTI2016

Mechanisms of NH3 and NO2 detection in carbon-nanotube-based sensors: An ab initio investigation

The mechanisms of NH3 and NO2 detection by single-walled carbon nanotube-based devices are investigated by ab initio calculations and the non-equilibrium Greens function (NEGF) methodology. While both NH3 and NO2 can physisorb to a pristine carbon nanotube, we show that their adsorption only results in small current changes through the device. For a carbon nanotube (CNT) attached to gold nanowire leads, the most sensitive detection site is at the CNT near the CNT-Au contact, where chemisorption occurs. The resulting change in electron transmission and low-bias current can lead to over 30% sensitivity. While both NH3 and NO2 can also chemisorb at the Au electrodes, their adsorption results in only a small change in the plurality of the conducting levels of the gold layers, and thus a small effect on current. In order to enhance the detection sensitivity, it is thus beneficial to mask the electrodes to prevent chemisorption. Furthermore, the length of the pure CNT segment does not strongly affect the relative sensitivity. Our results suggest that a short-CNT device with exposed contact regions and masked electrodes would have the greatest sensitivity.

Chemistry↗
DOE OSTI2018

Modeling of Cd adsorption to goethite-bacteria composites

The accurate modeling of heavy metal adsorption in complex systems is fundamental for risk assess-ments in soils and associated environments. Bacteria-iron (hydr)oxide associations in soils and sedi-ments play a critical role in heavy metal immobilization. The reduced adsorption of heavy metals on these composites have been widely reported using the component additivity (CA) method. However, there is a lack of a mechanism model to account for these deviations. In this study, we established models for Cd adsorption on goethite-Pseudomonas putida composites at 1:1 and 5:1 mass ratios. Cadmium adsorption on the 5:1 composite was consistent with the additivity method. However, the CA method over predicted Cd adsorption by approximately 8% on the 1:1 composite at high Cd concentration. The deviation was corrected by adding the site blockage reactions between P. putida and goethite. Both CA and “CA-site masking” models for Cd adsorption onto the composites were in line with the ITC data. These results indicate that CA method in simulating Cd adsorption on bacteria-iron oxides composites is limited to low bacterial and Cd concentrations. Therefore the interfacial complexation reactions that occur between iron (hydr)oxides and bacteria should be taken into account when high concentrations of bacteria and heavy metals are present.

Qu, Chenchen↗
DOE OSTI2020

Overcoming small minirhizotron datasets using transfer learning

Minirhizotron technology is widely used to study root growth and development. Yet, standard approaches for tracing roots in minirhiztron imagery is extremely tedious and time consuming. Machine learning approaches can help to automate this task. However, lack of enough annotated training data is a major limitation for the application of machine learning methods. Transfer learning is a useful technique to help with training when available datasets are limited. In this paper, we investigated the effect of pre-trained features from the massives-cale, irrelevant ImageNet dataset and a relatively moderate-scale, but relevant peanut root dataset on switchgrass root imagery segmentation applications. We compiled two minirhizotron image datasets to accomplish this study: one with 17,550 peanut root images and another with 28 switchgrass root images. Both datasets were paired with manually labeled ground truth masks. Deep neural networks based on the U-net architecture were used with different pre-trained features as initialization for automated, precise pixel-wise root segmentation in minirhizotron imagery. We observed that features pre-trained on a closely related but relatively moderate size dataset like our peanut dataset were more effective than features pre-trained on the large but unrelated ImageNet dataset. Here, we achieved high quality segmentation on peanut root dataset with 99.04% accuracy at the pixel-level and overcame errors in human-labeled ground truth masks. By applying transfer learning technique on limited switchgrass dataset with features pre-trained on peanut dataset, we obtained 99% segmentation accuracy in switchgrass imagery using only 21 images for training (fine tuning). Furthermore, the peanut pre-trained features can help the model converge faster and have much more stable performance.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2018

The evens and odds of CMB anomalies

The lack of power of large-angle CMB anisotropies is known to increase its statistical significance at higher Galactic latitudes, where a string-inspired pre-inflationary scale can also be detected. Considering the Planck 2015 data, and relying largely on a Bayesian approach, we show that the effect is mostly driven by the even - harmonic multipoles with , which appear sizably suppressed in a way that is robust with respect to Galactic masking, along with the corresponding detections of . On the other hand, the first odd - multipoles are only suppressed at high Galactic latitudes. We investigate this behavior in different sky masks, constraining through even and odd multipoles, and we elaborate on possible implications. We include low- polarization data which, despite being noise-limited, help in attaining confidence levels of about 3 in the detection of . We also show by direct forecasts that a future all-sky -mode cosmic-variance-limited polarization survey may push the constraining power for beyond 5 .

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2014

Accelerating Dynamic Magnetic Resonance Imaging (MRI) for Lung Tumor Tracking Based on Low-Rank Decomposition in the Spatial–Temporal Domain: A Feasibility Study Based on Simulation and Preliminary Prospective Undersampled MRI

Purpose: To evaluate a low-rank decomposition method to reconstruct down-sampled k-space data for the purpose of tumor tracking. Methods and Materials: Seven retrospective lung cancer patients were included in the simulation study. The fully-sampled k-space data were first generated from existing 2-dimensional dynamic MR images and then down-sampled by 5 × -20 × before reconstruction using a Cartesian undersampling mask. Two methods, a low-rank decomposition method using combined dynamic MR images (k-t SLR based on sparsity and low-rank penalties) and a total variation (TV) method using individual dynamic MR frames, were used to reconstruct images. The tumor trajectories were derived on the basis of autosegmentation of the resultant images. To further test its feasibility, k-t SLR was used to reconstruct prospective data of a healthy subject. An undersampled balanced steady-state free precession sequence with the same undersampling mask was used to acquire the imaging data. Results: In the simulation study, higher imaging fidelity and low noise levels were achieved with the k-t SLR compared with TV. At 10 × undersampling, the k-t SLR method resulted in an average normalized mean square error <0.05, as opposed to 0.23 by using the TV reconstruction on individual frames. Less than 6% showed tracking errors >1 mm with 10 × down-sampling using k-t SLR, as opposed to 17% using TV. In the prospective study, k-t SLR substantially reduced reconstruction artifacts and retained anatomic details. Conclusions: Magnetic resonance reconstruction using k-t SLR on highly undersampled dynamic MR imaging data results in high image quality useful for tumor tracking. The k-t SLR was superior to TV by better exploiting the intrinsic anatomic coherence of the same patient. The feasibility of k-t SLR was demonstrated by prospective imaging acquisition and reconstruction.

62 RADIOLOGY AND NUCLEAR MEDICINE↗
DOE OSTI2015

Magnetic Resonance–Based Automatic Air Segmentation for Generation of Synthetic Computed Tomography Scans in the Head Region

Purpose: To incorporate a novel imaging sequence for robust air and tissue segmentation using ultrashort echo time (UTE) phase images and to implement an innovative synthetic CT (synCT) solution as a first step toward MR-only radiation therapy treatment planning for brain cancer. Methods and Materials: Ten brain cancer patients were scanned with a UTE/Dixon sequence and other clinical sequences on a 1.0 T open magnet with simulation capabilities. Bone-enhanced images were generated from a weighted combination of water/fat maps derived from Dixon images and inverted UTE images. Automated air segmentation was performed using unwrapped UTE phase maps. Segmentation accuracy was assessed by calculating segmentation errors (true-positive rate, false-positive rate, and Dice similarity indices using CT simulation (CT-SIM) as ground truth. The synCTs were generated using a voxel-based, weighted summation method incorporating T2, fluid attenuated inversion recovery (FLAIR), UTE1, and bone-enhanced images. Mean absolute error (MAE) characterized Hounsfield unit (HU) differences between synCT and CT-SIM. A dosimetry study was conducted, and differences were quantified using γ-analysis and dose-volume histogram analysis. Results: On average, true-positive rate and false-positive rate for the CT and MR-derived air masks were 80.8% ± 5.5% and 25.7% ± 6.9%, respectively. Dice similarity indices values were 0.78 ± 0.04 (range, 0.70-0.83). Full field of view MAE between synCT and CT-SIM was 147.5 ± 8.3 HU (range, 138.3-166.2 HU), with the largest errors occurring at bone–air interfaces (MAE 422.5 ± 33.4 HU for bone and 294.53 ± 90.56 HU for air). Gamma analysis revealed pass rates of 99.4% ± 0.04%, with acceptable treatment plan quality for the cohort. Conclusions: A hybrid MRI phase/magnitude UTE image processing technique was introduced that significantly improved bone and air contrast in MRI. Segmented air masks and bone-enhanced images were integrated into our synCT pipeline for brain, and results agreed well with clinical CTs, thereby supporting MR-only radiation therapy treatment planning in the brain.

62 RADIOLOGY AND NUCLEAR MEDICINE↗
DOE OSTI2024

EHR-BERT: A BERT-based model for effective anomaly detection in electronic health records

Objective: Physicians and clinicians rely on data contained in electronic health records (EHRs), as recorded by health information technology (HIT), to make informed decisions about their patients. The reliability of HIT systems in this regard is critical to patient safety. Consequently, better tools are needed to monitor the performance of HIT systems for potential hazards that could compromise the collected EHRs, which in turn could affect patient safety. In this paper, we propose a new framework for detecting anomalies in EHRs using sequence of clinical events. This new framework, EHR-Bidirectional Encoder Representations from Transformers (BERT), is motivated by the gaps in the existing deep-learning related methods, including high false negatives, sub-optimal accuracy, higher computational cost, and the risk of information loss. EHR-BERT is an innovative framework rooted in the BERT architecture, meticulously tailored to navigate the hurdles in the contemporary BERT method; thus, enhancing anomaly detection in EHRs for healthcare applications.Methods: The EHR-BERT framework was designed using the Sequential Masked Token Prediction (SMTP) method. This approach treats EHRs as natural language sentences and iteratively masks input tokens during both training and prediction stages. This method facilitates the learning of EHR sequence patterns in both directions for each event and identifies anomalies based on deviations from the normal execution models trained on EHR sequences.Results: Extensive experiments on large EHR datasets across various medical domains demonstrate that EHR-BERT markedly improves upon existing models. It significantly reduces the number of false positives and enhances the detection rate, thus bolstering the reliability of anomaly detection in electronic health records. This improvement is attributed to the model’s ability to minimize information loss and maximize data utilization effectively.Conclusion: EHR-BERT showcases immense potential in decreasing medical errors related to anomalous clinical events, positioning itself as an indispensable asset for enhancing patient safety and the overall standard of healthcare services. The framework effectively overcomes the drawbacks of earlier models, making it a promising solution for healthcare professionals to ensure the reliability and quality of health data.

96 KNOWLEDGE MANAGEMENT AND PRESERVATION↗
DOE OSTI2018

A massively-parallel, unstructured overset method for mesh connectivity

Here we present a method that dynamically and efficiently performs connectivity calculations between many O(10 5 ) moving, unstructured overset meshes in parallel. In order to connect overset meshes, elements exterior to the solution domain must be removed from the simulation. In regions with many overlapping meshes, elements must be selectively removed to reduce redundancy while maintaining a solution over the entire domain. Around masked regions interpolation partner pairing is required between meshes to provide boundary conditions. For general unstructured meshes, these steps involve challenging computational geometry calculations which must be efficient and automatic. For many moving meshes each step must be massively parallelized and scalable to large numbers of computational cores. To establish communication patterns a parallelized master/slave algorithm is used which minimizes global communication and storage. To remove elements a parallel ‘Forest Fire’ flood-fill algorithm is used to set a masking variable. For interpolation partner pairing, and other necessary searches, k-dimensional tree data structures (k-d trees) are extensively used. Often in a calculation, the connectivity between overset meshes remains largely the same between time steps. The temporal coherence of the various objects in the connectivity calculation is directly used to only update necessary information with time, resulting in substantial cost savings. Details of the different algorithms are presented. Resulting connectivity and timings are shown for complex geometries. Parallel scaling is demonstrated for 100,000 spherical particles within a channel up to 492,000 processors.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2022

Emergence of exchange bias and giant coercive field enhancement by internal magnetic frustration in La 0.67 Sr 0.33 MnO 3 thin films

We have studied the influence of controlled defects on the magnetic properties of La 0.67 Sr 0.33 MnO 3 (LSMO) thin films. We used 100 nm thick epitaxial LSMO films, which were grown on SrTiO 3 substrates and introduced stoichiometry changes and defects using oxygen ion irradiation through nanoporous alumina masks. Oxygen irradiation through the mask creates cascades of defects in spatially-modulated regions in the plane of the LSMO film. The magnetic properties of the samples were compared before and after the irradiation. We have found that irradiation reduces the ferromagnetic ordering temperature, decreases the total magnetization, enhances the coercivity, and induces exchange bias below 50 K. The coercivity enhancement is dramatically higher below 50 K and can be associated with exchange bias. These results can be explained by the formation of Mn-rich antiferromagnetic or ferrimagnetic phases within the bombarded regions that are exchange coupled to the non-irradiated - ferromagnetic host.

36 MATERIALS SCIENCE↗
DOE OSTI2015

Structural properties of Y 2 O 3 –Al 2 O 3 liquids and glasses: An overview

Liquids in the system Y 2 O 3 –Al 2 O 3 have been the subject of considerable study because of the reported occurrence of a first-order density and entropy-driven liquid-liquid phase transition (LLPT) in the supercooled liquid state. The observations have become controversial because of the presence of crystalline material that can be formed simultaneously and that can mask the nucleation and growth of the lower density liquid. The previous work is summarized here along with arguments for and against the different viewpoints. Also two studies have been undertaken to investigate the LLPT in this refractory system with emphasis on determining the structure of unequivocally amorphous materials. These include the in situ high energy X-ray diffraction (HEXRD) of supercooled Y 2 O 3 –Al 2 O 3 liquids and the low frequency vibrational dynamics of recovered glasses. Manybody molecular dynamics simulations are also used to interpret the results of both studies. The HEXRD measurements, combined with aerodynamic levitation and rapid data acquisition techniques, show that for the 20 mol% Y 2 O 3 (i.e. AlY20) liquid there is a shift in the position of the first peak in the diffraction pattern over a narrow temperature range (2100-1800 K) prior to crystallization. Microbeam Raman spectroscopy measurements made on AlY20 glasses clearly show contrasting spectra in the low frequency part of the spectrum for low(LDA) and high-density (HDA) glassy regions. The molecular dynamics simulations identify contrasting coordination environments around oxygen anions for the high- (HDL) and low-density (LDL) liquids. (C) 2014 Elsevier B.V. All rights reserved.

36 MATERIALS SCIENCE↗
DOE OSTI2014

Relaxor-like ferroelectric behaviour favoured by short-range B-site ordering in 10% Ba{sup 2+} substituted MgFe{sub 2}O{sub 4}

Graphical abstract: - Highlights: • Mechanism driving polarization in MgFe{sub 2}O{sub 4} is the Maxwell–Wagner polarization. • But Raman studies confirm the existence of local P4{sub 1}22/P4{sub 3}22 symmetry in MgFe{sub 2}O{sub 4}. • Ba{sup 2+} substitution increases ferroelectric ordering, ΔT{sub m} span, and masks electronic contribution. - Abstract: Using the molten salt method, pristine and Ba{sup 2+} substituted MgFe{sub 2}O{sub 4} are prepared. The relaxor-like behaviour observed in the dielectric dispersion indicates the existence of B-site short-range ordering with the local P4{sub 1}22/P4{sub 3}22 symmetry which is confirmed by the Raman spectroscopy. The paper further analyses the origin of polarization using Maxwell–Wagner fit and Nyquist plot. This work suggests a possible way to increase the relaxor-like ferroelectric ordering, larger span of relaxation temperature (ΔT{sub m}) and the effective masking of electronic contribution by the substitution of Ba{sup 2+} ion.

36 MATERIALS SCIENCE↗
DOE OSTI2013

Feasibility of an online adaptive replanning method for cranial frameless intensity-modulated radiosurgery

To introduce an approach for online adaptive replanning (i.e., dose-guided radiosurgery) in frameless stereotactic radiosurgery, when a 6-dimensional (6D) robotic couch is not available in the linear accelerator (linac). Cranial radiosurgical treatments are planned in our department using intensity-modulated technique. Patients are immobilized using thermoplastic mask. A cone-beam computed tomography (CBCT) scan is acquired after the initial laser-based patient setup (CBCT{sub setup}). The online adaptive replanning procedure we propose consists of a 6D registration-based mapping of the reference plan onto actual CBCT{sub setup}, followed by a reoptimization of the beam fluences (“6D plan”) to achieve similar dosage as originally was intended, while the patient is lying in the linac couch and the original beam arrangement is kept. The goodness of the online adaptive method proposed was retrospectively analyzed for 16 patients with 35 targets treated with CBCT-based frameless intensity modulated technique. Simulation of reference plan onto actual CBCT{sub setup}, according to the 4 degrees of freedom, supported by linac couch was also generated for each case (4D plan). Target coverage (D99%) and conformity index values of 6D and 4D plans were compared with the corresponding values of the reference plans. Although the 4D-based approach does not always assure the target coverage (D99% between 72% and 103%), the proposed online adaptive method gave a perfect coverage in all cases analyzed as well as a similar conformity index value as was planned. Dose-guided radiosurgery approach is effective to assure the dose coverage and conformity of an intracranial target volume, avoiding resetting the patient inside the mask in a “trial and error” way so as to remove the pitch and roll errors when a robotic table is not available.

61 RADIATION PROTECTION AND DOSIMETRY↗
DOE OSTI2016

Polymer microfilters with nanostructured surfaces for the culture of circulating cancer cells

There is a critical need to improve the accuracy of drug screening and testing through the development of in vitro culture systems that more effectively mimic the in vivo environment. Surface topographical features on the nanoscale level, in short nanotopography, effect the cell growth patterns, and hence affect cell function in culture. We report the preliminary results on the fabrication, and subsequent cellular growth, of nanoscale surface topography on polymer microfilters using cell lines as a precursor to circulating tumor cells (CTCs). To create various nanoscale features on the microfilter surface, we used reactive ion etching (RIE) with and without an etching mask. An anodized aluminum oxide (AAO) membrane fabricated directly on the polymer surface served as an etching mask. Polymer filters with a variety of modified surfaces were used to compare the effects on the culture of cancer cell lines in blank culture wells, with untreated microfilters or with RIE-treated microfilters. We then report the differences of cell shape, phenotype and growth patterns of bladder and glioblastoma cancer cell lines after isolation on the various types of material modifications. Our data suggest that RIE modified polymer filters can isolate model cell lines while retaining ell viability, and that the RIE filter modification allows T24 monolayering cells to proliferate as a structured cluster. Copyright 2016 The Authors. Published by Elsevier B.V. All rights reserved.

Makarova, Olga V.↗
DOE OSTI2024

Formation of tunable diamond micro- and nanopillars for field effect enhancement applications

Here, we developed a process for the fabrication of tunable single crystal diamond micro- and nanopillars, with tip widths ranging from 40 to 460 nm, densities ranging from 0.5 to 53.5 pillars/μm 2 , and heights greater than 4.5 μm. A self-assembled Au nanodot ensemble etch mask was formed from an annealed Au thin film. The nanodot diameter and density can be tuned using the initial film thickness. The pillars were etched from the nanodot mask using an RIE O 2 plasma, which has infinite selectivity for the diamond when applied at low RF powers (50 W). Finally, the pillars can be sharpened to ~40 nm tip widths by annealing in air at 650 °C. These pillars can be used for applications such as field effect enhancement of diamond photocathode devices, enhancement of optical emission from N-V centers, and antireflective coatings.

36 MATERIALS SCIENCE↗
DOE OSTI2016

Low-resolution gamma-ray spectrometry for an information barrier based on a multi-criteria template-matching approach

Gamma-ray spectrometry has been successfully employed to identify unique items containing special nuclear materials. Template information barriers have been developed in the past to confirm items as warheads by comparing their gamma signature to the signature of true warheads. Their development has, however, not been fully transparent, and they may not be sensitive to some relevant evasion scenarios. Here, we develop a fully open template information barrier concept, based on low-resolution measurements, which, by design, reduces the extent of revealed sensitive information. The concept is based on three signatures of an item to be compared to a recorded template. The similarity of the spectrum is assessed by a modification of the Kolmogorov–Smirnov test to confirm the isotopic composition. The total gamma count rate must agree with the template as a measure of the projected surface of the object. In order to detect the diversion of fissile material from the interior of an item, a polyethylene mask is placed in front of the detector. Neutrons from spontaneous and induced fission events in the item produce 2.223 MeV gamma rays from neutron capture by hydrogen-1 in the mask. This peak is detected and its intensity scales with the item's fissile mass. This analysis is based on MCNP Monte Carlo simulations of various plutonium configurations suggests that this concept can distinguish a valid item from a variety of invalid ones. The concept intentionally avoids any assumptions about specific spectral features, such as looking for specific gamma peaks of specific isotopes, thereby facilitating a fully unclassified discussion. Finally, by making all aspects public and allowing interested participants to contribute to the development and benchmarking, we enable a more open and inclusive discourse on this matter.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2018

Micro-bunching for generating tunable narrow-band THz radiation at the FAST photoinjector

This paper presents expected THz radiation spectra emitted by micro-bunched electron beams produced using a slit-mask placed within a magnetic chicane in the FAST (Fermilab Accelerator Science and Technology) electron injector at Fermilab. Our purpose is to generate tunable narrow-band THz radiation with a simple scheme in a conventional photo-injector. Using the slit-mask in the chicane, we create a longitudinally micro-bunched beam after the chicane by transversely slicing an energy chirped electron bunch at a location with horizontal dispersion. In this paper, we discuss the theory related to the micro-bunched beam structure, the beam optics, the simulation results of the micro-bunched beam and the frequency spectra. Here, we also discuss the results of a simple method to observe the micro-bunching on a transverse screen monitor using a skew quadrupole placed in the chicane.

43 PARTICLE ACCELERATORS↗
DOE OSTI2021

SHarD: A beam dynamics simulation code for dielectric laser accelerators based on spatial harmonic field expansion

In order to demonstrate acceleration of electrons to relativistic scales by an on chip dielectric laser accelerator (DLA), a ponderomotive focusing scheme capable of capturing and transporting electrons through nanometer-scale apertures over extended interaction lengths has been proposed. Here we present a Matlab-based numerical code (SHarD) utilizing a spatial harmonic expansion of the fields within the dielectric structure to simulate the evolution of the beam phase space distribution in this scheme. The code can be used to optimize key-parameters for the accelerator performance such as the final energy, transverse spot size evolution and total number of electrons accelerated through currently fabricated structures. Eventually, the simulation model will be applied to inform the phase mask profile to be added to a pulse front tilt drive laser pulse using a liquid crystal mask in the experimental setup being assembled at UCLA Pegasus Laboratory.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2025

A rotor-based multileaf collimator for beam shaping

We introduce a new style of multileaf collimator which employs rotors with angularly dependent radius to control the masking aperture: a rotor-based multileaf collimator (RMLC). Using a padlock-inspired mechanism, a single motor can set dozens of rotors, i.e. leaves, independently. This is especially important for an ultra-high vacuum (UHV) compatible MLC, since this reduces the number of actuators and vacuum feedthroughs required by more than an order of magnitude. This new RMLC will complement previous work employing a UHV compatible MLC with an emittance exchange beamline to create arbitrarily shaped beams on demand. A feed-forward control system which abstracts away the complexity of the RMLC operation, and is adaptable to real beamline conditions, is discussed and demonstrated in simulation.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗