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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 991 records · Page 55
All sourcesNASA NTRSDOE OSTI
DOE OSTI2017

Comparison of typical year and multiyear building simulations using a 55-year actual weather data set from China

Weather has significant impacts on the thermal environment and energy use in buildings. Thus, accurate weather data are crucial for building performance evaluations. Traditionally, typical year data inputs are used to represent long-term weather data. However, there is no guarantee that a single year represents the changing climate well. In this study, the long-term representation of a typical year was assessed by comparing it to a 55-year actual weather data set. To investigate the weather impact on building energy use, 559 simulation runs of a prototype office building were performed for 10 large cities covering all climate zones in China. The analysis results demonstrated that the weather data varied significantly from year to year. Hence, a typical year cannot reflect the variation range of weather fluctuations. Typical year simulations overestimated or underestimated the energy use and peak load in many cases. With the increase in computational power of personal computers, it is feasible and essential to adopt multiyear simulations for full assessments of long-term building performance, as this will improve decision-making by allowing for the full consideration of variations in building energy use.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2017

Vaccinia-related kinase 3 (VRK3) sets the circadian period and amplitude by affecting the subcellular localization of clock proteins in mammalian cells

In the eukaryotic circadian clock machinery, negative feedback repression of CLOCK (CLK) and BMAL1 transcriptional activity by PERIOD (PER) and CRYPTOCHROME (CRY) underlies the basis for 24 h rhythmic gene expression. Thus, precise regulation of the time-dependent nuclear entry of circadian repressors is crucial to generating normal circadian rhythms. Here, we sought to identify novel kinase(s) that regulate nuclear entry of mammalian CRY1 (mCRY1) with an unbiased screening using red fluorescent protein (RFP)-tagged human kinome expression plasmids in mammalian cells. Transient expression of human vaccinia-related kinase 3 (hVRK3) reduced the nuclear presence of mCRY1. hVRK3 expression also induced alterations in the subcellular localization of other core clock proteins, including mCRY2, mPER2, and BMAL1. In contrast, the subcellular localization of mCLK was not changed. Given that singly expressed mCLK mostly resides in the cytoplasm and that nuclear localization sequence (NLS) mutation of hVRK3 attenuated the effect of hVRK3 co-expression on subcellular localization, ectopically expressed hVRK3 presumably reduces the retention of proteins in the nucleus. Finally, downregulation of hvrk3 using siRNA reduced the amplitude and lengthened the period of the cellular bioluminescence rhythm. Taken together, these data suggest that VRK3 plays a role in setting the amplitude and period length of circadian rhythms in mammalian cells. - Highlights: • Screening was performed to identify kinases that regulate CRY1 subcellular localization. • VRK3 alters the subcellular localization of CRY1, CRY2, PER2, and BMAL1. • VRK3 knock-down alters the circadian bioluminescence rhythm in mammalian cells.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2015

Observing the setting and hardening of cementitious materials by X-ray dark-field radiography

Novel X-ray imaging methods expand conventional attenuation-based X-ray radiography by the phase- and the dark-field contrasts. While weakly absorbing structures in the specimen can be better visualized in phase contrast, the dark-field contrast provides information about morphological sub-pixel microstructures. Here we report an application of dark-field X-ray radiography for imaging the time-resolved setting process in fresh cement. Our results demonstrate that the microstructural changes within the cement result in a decreasing dark-field signal. We quantify this imaging signal with a time-dependent dark-field scatter coefficient and show its good correlation with the compressional wave velocity. We further present images based on a pixel-wise analysis of the scattering signal and a corresponding logistic fit. These images emphasize the benefit of dark-field imaging of cementitious materials as it provides two dimensional spatial information on the processes within the sample while other established testing techniques only provide information on the bulk average.

36 MATERIALS SCIENCE↗
DOE OSTI2016

In situ synchrotron powder diffraction study of the setting reaction kinetics of magnesium-potassium phosphate cements

This work reports a kinetic study of the formation of magnesium-potassium phosphate cements accomplished using in-situ synchrotron powder diffraction. The reaction: MgO + KH{sub 2}PO{sub 4} + 5H{sub 2}O → MgKPO{sub 4} · 6H{sub 2}O was followed in situ in the attempt of contributing to explain the overall mechanism and assess the influence of periclase (MgO) grain size and calcination temperature (1400-1600 °C) on the reaction kinetics. Numerical kinetic parameters for the setting reaction have been provided for the first time. The best fit to the kinetic data was obtained using a weighted nonlinear model fitting method with two kinetic equations, representing two consecutive, partially overlapping processes. MgO decomposition could be described by a first order (F1) model followed by a Jander diffusion (D3) controlled model. Crystallization of the product of reaction was modelled using an Avrami model (A{sub n}) followed by a first order (F1) chemical reaction. A reaction mechanism accounting for such results has been proposed.

36 MATERIALS SCIENCE↗
DOE OSTI2014

A set of parallel, implicit methods for a reconstructed discontinuous Galerkin method for compressible flows on 3D hybrid grids

A set of implicit methods are proposed for a third-order hierarchical WENO reconstructed discontinuous Galerkin method for compressible flows on 3D hybrid grids. An attractive feature in these methods are the application of the Jacobian matrix based on the P1 element approximation, resulting in a huge reduction of memory requirement compared with DG (P2). Also, three approaches -- analytical derivation, divided differencing, and automatic differentiation (AD) are presented to construct the Jacobian matrix respectively, where the AD approach shows the best robustness. A variety of compressible flow problems are computed to demonstrate the fast convergence property of the implemented flow solver. Furthermore, an SPMD (single program, multiple data) programming paradigm based on MPI is proposed to achieve parallelism. The numerical results on complex geometries indicate that this low-storage implicit method can provide a viable and attractive DG solution for complicated flows of practical importance.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2018

Velocity-gauge real-time TDDFT within a numerical atomic orbital basis set

The interaction of laser fields with solid-state systems can be modeled efficiently within the velocity-gauge formalism of real-time time dependent density functional theory (RT-TDDFT). In this article, we discuss the implementation of the velocity-gauge RT-TDDFT equations for electron dynamics within a linear combination of atomic orbitals (LCAO) basis set framework. Numerical results obtained from our LCAO implementation, for the electronic response of periodic systems to both weak and intense laser fields, are compared to those obtained from established real-space grid and Full-Potential Linearized Augmented Planewave approaches. As a result, potential applications of the LCAO based scheme in the context of extreme ultra-violet and soft X-ray spectroscopies involving core-electronic excitations are discussed.

74 ATOMIC AND MOLECULAR PHYSICS↗
DOE OSTI2015

Index-based groundwater vulnerability mapping models using hydrogeological settings: A critical evaluation

Groundwater vulnerability maps are useful for decision making in land use planning and water resource management. This paper reviews the various groundwater vulnerability assessment models developed across the world. Each model has been evaluated in terms of its pros and cons and the environmental conditions of its application. The paper further discusses the validation techniques used for the generated vulnerability maps by various models. Implicit challenges associated with the development of the groundwater vulnerability assessment models have also been identified with scientific considerations to the parameter relations and their selections. - Highlights: • Various index-based groundwater vulnerability assessment models have been discussed. • A comparative analysis of the models and its applicability in different hydrogeological settings has been discussed. • Research problems of underlying vulnerability assessment models are also reported in this review paper.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2023

Improving the accuracy of freight mode choice models: A case study using the 2017 CFS PUF data set and ensemble learning techniques

Here, the US Census Bureau has collected two rounds of experimental data from the Commodity Flow Survey, providing shipment-level characteristics of nationwide commodity movements, published in 2012 (i.e., Public Use Microdata) and in 2017 (i.e., Public Use File). With this information, data-driven methods have become increasingly valuable for understanding detailed patterns in freight logistics. In this study, we used the 2017 Commodity Flow Survey Public Use File data set to explore building a high-performance freight mode choice model, considering three main improvements: (1) constructing local models for each separate commodity/industry category; (2) extracting useful geographical features, particularly the derived distance of each freight mode between origin/destination zones; and (3) applying additional ensemble learning methods such as stacking or voting to combine results from local and unified models for improved performance. The proposed method achieved over 92% accuracy without incorporating external information, an over 19% increase compared to directly fitting Random Forests models over 10,000 samples. Furthermore, SHAP (Shapely Additive Explanations) values were computed to explain the outputs and major patterns obtained from the proposed model. The model framework could enhance the performance and interpretability of existing freight mode choice models.

42 ENGINEERING↗
DOE OSTI2022

Dynamically robust coordinated set point tracking of distributed DERs at point of common coupling

Low-inertia operation of small-scale power systems, such as a microgrid or a portion of a long feeder, requires careful coordination of the controller performance of the constituting devices. This challenge is exacerbated in microgrids serving the functionalities of a conventional synchronous-based generation unit while comprised of smaller DERs operating mainly interfaced through power electronics converters. This paper builds on the idea of set point modulation and proposes a two-level control strategy that aims to achieve superior performance at the point of common coupling (PCC) of microgrids by combining a local control level with a distributed and coordinated level. Several case studies on both AC and DC systems, the CIGRE low-voltage benchmark system as the AC system and a test DC microgrid, validate the performance of the proposed approach. The real-world applicability of the approach is established via a high-fidelity power hardware-in-the-loop (PHIL) experimental setup and an application case study on grid frequency regulation. The proposed approach enables a microgrid to participate in ancillary service provisions where speed and quality of regulation are critical.

24 POWER TRANSMISSION AND DISTRIBUTION↗
DOE OSTI2020

Modeling the dynamic response of rock masses with multiple compliant fluid saturated joint sets—Part I: Mesoscale simulations

Recently a mesoscale model was developed that includes thermomechanically consistent constitutive equations with dissipation due to porous compaction, inelastic distortional deformation rate, and slipping on persistent dry joint surfaces. In this Part I of a two-part paper, we describe enhancements of the mesoscale model which include: normal compliance with hysteresis, non-persistent joints with finite area, joint sets with angular deviation, and the weakening effect of fluid pressure in the joints. Examples study the influences of these effects on average strength. These computationally expensive simulations are used to inspire functional forms in a continuum model, described in Part II, which is needed for large scale simulations of real applications.

42 ENGINEERING↗
DOE OSTI2018

A minimal set of physiomarkers in continuous high frequency data streams predict adult sepsis onset earlier

Purpose: We report that sepsis is a life-threatening condition with high mortality rates and expensive treatment costs. To improve short- and long-term outcomes, it is critical to detect at-risk sepsis patients at an early stage. Methods: A data-set consisting of high-frequency physiological data from 1161 critically ill patients was analyzed. 377 patients had developed sepsis, and had data at least 3 h prior to the onset of sepsis. A random forest classifier was trained to discriminate between sepsis and non-sepsis patients in real-time using a total of 132 features extracted from a moving time-window. The model was trained on 80% of the patients and was tested on the remaining 20% of the patients, for two observational periods of lengths 3 and 6 h prior to onset.Results: The model that used continuous physiological data alone resulted in sensitivity and F1 score of up to 80% and 67% one hour before sepsis onset. On average, these models were able to predict sepsis 294.19 ± 6.50 min (5 h) before the onset. Conclusions: Lastly, the use of machine learning algorithms on continuous streams of physiological data can allow for early identification of at-risk patients in real-time with high accuracy.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2021

Large rotations of the grain-scale stress tensor during yielding set the stage for failure

The stress-state within individual grains in a polycrystal determine the fate of the aggregate including mechanical failure. By tracking the evolution of the stress tensor throughout the elastoplastic transition, large rotations of the stress-state, which have long been theorized to occur, are observed experimentally for the first time. These stress rotations (~15°) are more than an order of magnitude larger than the concomitant crystallographic lattice reorientations (~0.9°) well-known to occur during metal plasticity. Furthermore, these rotations are accompanied by a decrease in stress triaxiality within certain grains, promote strain softening, and set the stage for failure at an early stage of deformation. Finally, these results provide a completely new perspective through which to contemplate the question of “hot-spots” responsible for failure of high-performance structural materials.

36 MATERIALS SCIENCE↗
DOE OSTI2012

Is It Time to Tailor the Prediction of Radio-Induced Toxicity in Prostate Cancer Patients? Building the First Set of Nomograms for Late Rectal Syndrome

Purpose: Development of user-friendly tools for the prediction of single-patient probability of late rectal toxicity after conformal radiotherapy for prostate cancer. Methods and Materials: This multicenter protocol was characterized by the prospective evaluation of rectal toxicity through self-assessed questionnaires (minimum follow-up, 36 months) by 718 adult men in the AIROPROS 0102 trial. Doses were between 70 and 80 Gy. Nomograms were created based on multivariable logistic regression analysis. Three endpoints were considered: G2 to G3 late rectal bleeding (52/718 events), G3 late rectal bleeding (24/718 events), and G2 to G3 late fecal incontinence (LINC, 19/718 events). Results: Inputs for the nomogram for G2 to G3 late rectal bleeding estimation were as follows: presence of abdominal surgery before RT, percentage volume of rectum receiving >75 Gy (V75Gy), and nomogram-based estimation of the probability of G2 to G3 acute gastrointestinal toxicity (continuous variable, which was estimated using a previously published nomogram). G3 late rectal bleeding estimation was based on abdominal surgery before RT, V75Gy, and NOMACU. Prediction of G2 to G3 late fecal incontinence was based on abdominal surgery before RT, presence of hemorrhoids, use of antihypertensive medications (protective factor), and percentage volume of rectum receiving >40 Gy. Conclusions: We developed and internally validated the first set of nomograms available in the literature for the prediction of radio-induced toxicity in prostate cancer patients. Calculations included dosimetric as well as clinical variables to help radiation oncologists predict late rectal morbidity, thus introducing the possibility of RT plan corrections to better tailor treatment to the patient's characteristics, to avoid unnecessary worsening of quality of life, and to provide support to the patient in selecting the best therapeutic approach.

62 RADIOLOGY AND NUCLEAR MEDICINE↗
DOE OSTI2013

Verification of Planning Target Volume Settings in Volumetric Modulated Arc Therapy for Stereotactic Body Radiation Therapy by Using In-Treatment 4-Dimensional Cone Beam Computed Tomography

Purpose: To evaluate setup error and tumor motion during beam delivery by using 4-dimensional cone beam computed tomography (4D CBCT) and to assess the adequacy of the planning target volume (PTV) margin for lung cancer patients undergoing volumetric modulated arc therapy for stereotactic body radiation therapy (VMAT-SBRT). Methods and Materials: Fifteen lung cancer patients treated by single-arc VMAT-SBRT were selected in this analysis. All patients were treated with an abdominal compressor. The gross tumor volumes were contoured on maximum inspiration and maximum expiration CT datasets from 4D CT respiratory sorting and merged into internal target volumes (ITVs). The PTV margin was isotropically taken as 5 mm. Registration was automatically performed using “pre-3D” CBCT. Treatment was performed with a D95 prescription of 50 Gy delivered in 4 fractions. The 4D tumor locations during beam delivery were determined using in-treatment 4D CBCT images acquired in each fraction. Then, the discrepancy between the actual tumor location and the ITV was evaluated in the lateral, vertical, and longitudinal directions. Results: Overall, 55 4D CBCT sets during VMAT-SBRT were successfully obtained. The amplitude of tumor motion was less than 10 mm in all directions. The average displacements between ITV and actual tumor location during treatment were 0.41 ± 0.93 mm, 0.15 ± 0.58 mm, and 0.60 ± 0.99 mm for the craniocaudal, left-right, and anteroposterior directions, respectively. The discrepancy in each phase did not exceed 5 mm in any direction. Conclusions: With in-treatment 4D CBCT, we confirmed the required PTV margins when the registration for moving target was performed using pre-3D CBCT. In-treatment 4D CBCT is a direct method for quantitatively assessing the intrafractional location of a moving target.

62 RADIOLOGY AND NUCLEAR MEDICINE↗
DOE OSTI2014

In Search of the Economic Sustainability of Hadron Therapy: The Real Cost of Setting Up and Operating a Hadron Facility

Purpose: To determine the treatment cost and required reimbursement for a new hadron therapy facility, considering different technical solutions and financing methods. Methods and Materials: The 3 technical solutions analyzed are a carbon only (COC), proton only (POC), and combined (CC) center, each operating 2 treatment rooms and assumed to function at full capacity. A business model defines the required reimbursement and analyzes the financial implications of setting up a facility over time; activity-based costing (ABC) calculates the treatment costs per type of patient for a center in a steady state of operation. Both models compare a private, full-cost approach with public sponsoring, only taking into account operational costs. Results: Yearly operational costs range between €10.0M (M = million) for a publicly sponsored POC to €24.8M for a CC with private financing. Disregarding inflation, the average treatment cost calculated with ABC (COC: €29,450; POC: €46,342; CC: €46,443 for private financing; respectively €16,059, €28,296, and €23,956 for public sponsoring) is slightly lower than the required reimbursement based on the business model (between €51,200 in a privately funded POC and €18,400 in COC with public sponsoring). Reimbursement for privately financed centers is very sensitive to a delay in commissioning and to the interest rate. Higher throughput and hypofractionation have a positive impact on the treatment costs. Conclusions: Both calculation methods are valid and complementary. The financially most attractive option of a publicly sponsored COC should be balanced to the clinical necessities and the sociopolitical context.

62 RADIOLOGY AND NUCLEAR MEDICINE↗
DOE OSTI2014

Considerations for Observational Research Using Large Data Sets in Radiation Oncology

The radiation oncology community has witnessed growing interest in observational research conducted using large-scale data sources such as registries and claims-based data sets. With the growing emphasis on observational analyses in health care, the radiation oncology community must possess a sophisticated understanding of the methodological considerations of such studies in order to evaluate evidence appropriately to guide practice and policy. Because observational research has unique features that distinguish it from clinical trials and other forms of traditional radiation oncology research, the International Journal of Radiation Oncology, Biology, Physics assembled a panel of experts in health services research to provide a concise and well-referenced review, intended to be informative for the lay reader, as well as for scholars who wish to embark on such research without prior experience. This review begins by discussing the types of research questions relevant to radiation oncology that large-scale databases may help illuminate. It then describes major potential data sources for such endeavors, including information regarding access and insights regarding the strengths and limitations of each. Finally, it provides guidance regarding the analytical challenges that observational studies must confront, along with discussion of the techniques that have been developed to help minimize the impact of certain common analytical issues in observational analysis. Features characterizing a well-designed observational study include clearly defined research questions, careful selection of an appropriate data source, consultation with investigators with relevant methodological expertise, inclusion of sensitivity analyses, caution not to overinterpret small but significant differences, and recognition of limitations when trying to evaluate causality. This review concludes that carefully designed and executed studies using observational data that possess these qualities hold substantial promise for advancing our understanding of many unanswered questions of importance to the field of radiation oncology.

62 RADIOLOGY AND NUCLEAR MEDICINE↗
DOE OSTI2014

Contrast-Enhanced Proton Radiography for Patient Set-up by Using X-Ray CT Prior Knowledge

Purpose: To obtain a contrasted image of the tumor region during the setup for proton therapy in lung patients, by using proton radiography and x-ray computed tomography (CT) prior knowledge. Methods and Materials: Six lung cancer patients' CT scans were preprocessed by masking out the gross tumor volume (GTV), and digitally reconstructed radiographs along the planned beam's eye view (BEV) were generated, for a total of 27 projections. Proton radiographies (PR) were also computed for the same BEV through Monte Carlo simulations. The digitally reconstructed radiograph was subtracted from the corresponding proton image, resulting in a contrast-enhanced proton radiography (CEPR). Michelson contrast analysis was performed both on PR and CEPR. The tumor region was then automatically segmented on CEPR and compared to the ground truth (GT) provided by physicians in terms of Dice coefficient, accuracy, precision, sensitivity, and specificity. Results: Contrast on CEPR was, on average, 4 times better than on PR. For 10 lateral projections (±45° off of 90° or 270°), although it was not possible to distinguish the tumor region in the PR, CEPR offers excellent GTV visibility. The median ± quartile values of Dice, precision, and accuracy indexes were 0.86 ± 0.03, 0.86 ± 0.06, and 0.88 ± 0.02, respectively, thus confirming the reliability of the method in highlighting tumor boundaries. Sensitivity and specificity analysis demonstrated that there is no systematic over- or underestimation of the tumor region. Identification of the tumor boundaries using CEPR resulted in a more accurate and precise definition of GTV compared to that obtained from pretreatment CT. Conclusions: In most proton centers, the current clinical protocol is to align the patient using kV imaging with bony anatomy as a reference. We demonstrated that CEPR can significantly improve tumor visualization, allowing better patient set-up and permitting image guided proton therapy (IGPT)

62 RADIOLOGY AND NUCLEAR MEDICINE↗
DOE OSTI2016

Stereotactic Body Radiation Therapy for Spinal Metastases in the Postoperative Setting: A Secondary Analysis of Mature Phase 1-2 Trials

Purpose: To evaluate the outcomes in patients treated on prospective phase 1-2 protocols with postoperative stereotactic body radiation therapy (SBRT) and identify the associated prognostic variables. Methods and Materials: Sixty-six patients with 69 tumors were treated with SBRT on prospective phase 1-2 studies for spinal metastases between 2002 and 2010. All patients underwent SBRT after spine surgery, which included laminectomy, vertebrectomy, or a combination of these techniques. Renal cell carcinoma was the most common histology represented (n=35, 53%) followed by sarcomas (n=13, 20%). Thirty-one patients (47%) were treated with prior conventional radiation to the spine (median dose 30 Gy). Patients were followed up with spinal magnetic resonance imaging (MRI) studies to determine the treated tumor control (TC). Pain and other symptom data were collected prospectively to determine treatment response and toxicity. Results: The median follow-up time was 30 months (range, 1-145 months) for all patients and 75 months for living patients (range, 6-145 months). The actuarial 1-year rate of TC was 85%, adjacent vertebral body control was 85%, and overall survival (OS) was 74% (median 29 months). On multivariate competing-risks analysis, sarcoma histology (subhazard ratio [SHR] = 2.38, 95% confidence interval [CI] 1.05-5.6, P=.04) and larger preoperative tumor volumes (SHR=1.01, 95% CI 1.0-1.01, P=.006) were significantly associated with worse TC. Karnofsky performance status was the only significant predictor for OS on multivariate analysis. There were no differences in TC between patients treated with different surgical techniques or different preoperative or postoperative Bilsky grades. There were no grade 3 or higher neurologic toxicities. Conclusion: This study represents a large series of prospective data available on patients treated with SBRT in the postoperative setting. The combination of surgery with SBRT can offer patients with metastatic disease to the spine the chance of durable tumor control with minimal toxicity.

62 RADIOLOGY AND NUCLEAR MEDICINE↗