Search NASA⌕ Search

SEARCH · Search NASA

Results for “WENDI”

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

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

At least 19 records
All sourcesNASA NTRSDOE OSTI
DOE OSTI2023

Direct Estimation of Parameters in ODE Models Using WENDy: Weak-Form Estimation of Nonlinear Dynamics

Abstract We introduce the Weak-form Estimation of Nonlinear Dynamics (WENDy) method for estimating model parameters for non-linear systems of ODEs. Without relying on any numerical differential equation solvers, WENDy computes accurate estimates and is robust to large (biologically relevant) levels of measurement noise. For low dimensional systems with modest amounts of data, WENDy is competitive with conventional forward solver-based nonlinear least squares methods in terms of speed and accuracy. For both higher dimensional systems and stiff systems, WENDy is typically both faster (often by orders of magnitude) and more accurate than forward solver-based approaches. The core mathematical idea involves an efficient conversion of the strong form representation of a model to its weak form, and then solving a regression problem to perform parameter inference. The core statistical idea rests on the Errors-In-Variables framework, which necessitates the use of the iteratively reweighted least squares algorithm. Further improvements are obtained by using orthonormal test functions, created from a set of $$C^{\infty }$$ C ∞ bump functions of varying support sizes.We demonstrate the high robustness and computational efficiency by applying WENDy to estimate parameters in some common models from population biology, neuroscience, and biochemistry, including logistic growth, Lotka-Volterra, FitzHugh-Nagumo, Hindmarsh-Rose, and a Protein Transduction Benchmark model. Software and code for reproducing the examples is available at https://github.com/MathBioCU/WENDy .

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2025

First multi-institutional systematic comparison of the neutron ambient dose equivalent produced by proton therapy systems

Objective. Isochronous cyclotrons, synchrocyclotrons, and synchrotrons are used to accelerate protons for proton therapy. An accurate measurement of neutron doses generated by these accelerators and associated delivery systems and its clinical relevance requires systematic protocols and proper neutron dosimetry for a meaningful assessment. We present the first comprehensive comparison of neutron ambient dose equivalent (H*(10)) produced by clinically operational proton therapy systems. Approach. Treatment plans with 10 cm modulation-depth and ranges of 10 cm (R10M10) and 25 cm (R25M10) were created to cover a 10 × 10 × 10 cm 3 water target. The pencil beam scanning proton therapy machines studied were: two gantry-mounted synchrocyclotrons (Hyperscan, Mevion, half-gantry), two isochronous cyclotrons (ProBeam, Varian, full-gantry), one isochronous cyclotron (Proteus, IBA, full-gantry), and two synchrotrons (PROBEAT, Hitachi, full- and half-gantry). Proton beams were delivered to 30 × 30 × 40 cm 3 plastic water phantoms. WENDI-II and LUPIN-BF3-NP neutron rem-meters were positioned at three angles (0°, 45°, 90°) relative to the beam direction to measure the neutron H*(10) at distances between 50–300 cm from the isocenter. Main results. H*(10) showed dependence on beam energy, machine type, and measurement location. The highest reading was for the gantry-mounted synchrocyclotron, whereas other systems produced approximately comparable neutron doses. In all cases, the H*(10) reduced with distance from the isocenter. The H*(10) drop at 2 m distance compared to that at 0.5 m was a factor of ∼5 for the gantry-mounted synchrocyclotron whereas in other systems the decrease was a factor of 10. The WENDI-II device suffered from dead-time-associated under-estimation of the dose by a factor of ∼2–3 under the synchrocyclotron beam due to its high dose-per-pulse. However, WENDI-II and LUPIN-BF3-NP results were within reasonable agreement in isochronous cyclotron and synchrotron beams, indicating that both devices are suitable for those systems. Significance. Neutron H*(10) is dependent on various parameters including beam energy, measurement location, as well as machine design. Caution must be exercised in choosing the appropriate neutron-dose-measurement device to be used for low-duty-factor, particularly in high-instantaneous-rate proton delivery systems. By delivering the same volumetric proton dose across different machines, this work provides a benchmark for inter-system comparisons and serves as a foundation for future studies.

LUPIN↗
DOE OSTI2024

Physics-Informed Active Learning With Simultaneous Weak-Form Latent Space Dynamics Identification

The parametric greedy latent space dynamics identification (gLaSDI) framework has demonstrated promising potential for accurate and efficient modeling of high-dimensional nonlinear physical systems. However, it remains challenging to handle noisy data. Here, to enhance robustness against noise, we incorporate the weak-form estimation of nonlinear dynamics (WENDy) into gLaSDI. In the proposed weak-form gLaSDI (WgLaSDI) framework, an autoencoder and WENDy are trained simultaneously to discover intrinsic nonlinear latent-space dynamics of high-dimensional data. Compared with the standard sparse identification of nonlinear dynamics (SINDy) employed in gLaSDI, WENDy enables variance reduction and robust latent space discovery, therefore leading to more accurate and efficient reduced-order modeling. Furthermore, the greedy physics-informed active learning in WgLaSDI enables adaptive sampling of optimal training data on the fly for enhanced modeling accuracy. The effectiveness of the proposed framework is demonstrated by modeling various nonlinear dynamical problems, including viscous and inviscid Burgers' equations, time-dependent radial advection, and the Vlasov equation for plasma physics. With data that contains 5%–10% Gaussian white noise, WgLaSDI outperforms gLaSDI by orders of magnitude, achieving 1%–7% relative errors. Compared with the high-fidelity models, WgLaSDI achieves 121 to 1779x speed-up.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2015

Measurement of stray radiation within a scanning proton therapy facility: EURADOS WG9 intercomparison exercise of active dosimetry systems

Purpose: To characterize stray radiation around the target volume in scanning proton therapy and study the performance of active neutron monitors. Methods: Working Group 9 of the European Radiation Dosimetry Group (EURADOS WG9—Radiation protection in medicine) carried out a large measurement campaign at the Trento Centro di Protonterapia (Trento, Italy) in order to determine the neutron spectra near the patient using two extended-range Bonner sphere spectrometry (BSS) systems. In addition, the work focused on acknowledging the performance of different commercial active dosimetry systems when measuring neutron ambient dose equivalents, H{sup ∗}(10), at several positions inside (8 positions) and outside (3 positions) the treatment room. Detectors included three TEPCs—tissue equivalent proportional counters (Hawk type from Far West Technology, Inc.) and six rem-counters (WENDI-II, LB 6411, RadEye™ NL, a regular and an extended-range NM2B). Meanwhile, the photon component of stray radiation was deduced from the low-lineal energy transfer part of TEPC spectra or measured using a Thermo Scientific™ FH-40G survey meter. Experiments involved a water tank phantom (60 × 30 × 30 cm{sup 3}) representing the patient that was uniformly irradiated using a 3 mm spot diameter proton pencil beam with 10 cm modulation width, 19.95 cm distal beam range, and 10 × 10 cm{sup 2} field size. Results: Neutron spectrometry around the target volume showed two main components at the thermal and fast energy ranges. The study also revealed the large dependence of the energy distribution of neutrons, and consequently of out-of-field doses, on the primary beam direction (directional emission of intranuclear cascade neutrons) and energy (spectral composition of secondary neutrons). In addition, neutron mapping within the facility was conducted and showed the highest H{sup ∗}(10) value of ∼51 μSv Gy{sup −1}; this was measured at 1.15 m along the beam axis. H{sup ∗}(10) values significantly decreased with distance and angular position with respect to beam axis falling below 2 nSv Gy{sup −1} at the entrance of the maze, at the door outside the room and below detection limit in the gantry control room, and at an adjacent room (<0.1 nSv Gy{sup −1}). Finally, the agreement on H{sup ∗}(10) values between all detectors showed a direct dependence on neutron spectra at the measurement position. While conventional rem-counters (LB 6411, RadEye™ NL, NM2-458) underestimated the H{sup ∗}(10) by up to a factor of 4, Hawk TEPCs and the WENDI-II range-extended detector were found to have good performance (within 20%) even at the highest neutron fluence and energy range. Meanwhile, secondary photon dose equivalents were found to be up to five times lower than neutrons; remaining nonetheless of concern to the patient. Conclusions: Extended-range BSS, TEPCs, and the WENDI-II enable accurate measurements of stray neutrons while other rem-counters are not appropriate considering the high-energy range of neutrons involved in proton therapy.

07 ISOTOPE AND RADIATION SOURCES↗
DOE OSTI2015

Covalent Attachment of Diphosphine Ligands to Glassy Carbon Electrodes via Cu-Catalyzed Alkyne-Azide Cycloaddition. Metallation with Ni(II)

Covalent tethering of PPh2NC6H4C=CH2 ligands (PPh2NC6H4C=CH2 = 1,5-di-(4-ethynylphenyl)-3,7-diphenyl-1,5-diaza-3,7-diphosphacyclooctane) to planar, azide-terminated glassy carbon electrode surfaces has been accomplished using a CuI-catalyzed alkyne-azide cycloaddition (CuAAC) as the coupling reaction, using a BH3?P protection-deprotection strategy. Deprotected, surface-confined ligands were metallated using [NiII(MeCN)6](BF4)2. X-ray photoelectron spectroscopic measurements demonstrate that metallation introduced 1.3 equivalents NiII per diphosphine onto the electrode surface. Exposure of the surface to a second diphosphine ligand, PPh2NPh2, resulted in the removal of Ni from the surface. Protection, coupling, deprotection, and metallation conditions were optimized using solution-phase model systems, with benzyl azide as a model for the azide-terminated carbon surface; these reactions generate a [NiII(diphosphine)2]2+ complex. Acknowledgment. This research was supported as part of the Center for Molecular Electrocatalysis, an Energy Frontier Research Center funded by the U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences. The XPS measurements were performed at the Environmental Molecular Sciences Laboratory (EMSL), a national scientific user facility sponsored by the U. S. Department of Energy, Office of Science, Office of Biological and Environmental Research and located at Pacific Northwest National Laboratory. The x-ray crystal structure analysis was carried out by S.L., who was supported by a grant to Wendy J. Shaw from the Early Career Research Program through the U.S. Department of Energy, Office of Science. Pacific Northwest National Laboratory is operated by Battelle for the U.S. Department of Energy.

electrocatalysis, surface attachment, XPS↗
DOE OSTI2020

NDX: Neutron Dose Rate Meters with Extended Capabilities

Particle accelerators, irradiation facilities, and nuclear power plants would benefit from using neutron dose rate meters featuring improved energy response covering full range of expected neutron energies, improved dynamic range of measured dose rates while providing the real-time data, and improved ability to operate in harsh radiation environments including heavy photon backgrounds and pulsed beams. The novel design of the neutron moderator for the NDX dose rate meter implements a layer of a Beryllium-loaded medium Z material which, similar to the earlier known WENDI detectors, allows the device to detect higher energy neutron flux and convert it to dose. Using Beryllium helps to fill the known dip in the response functions around 5-50 MeV. Optimized design parameter set, obtained using FLUKA Monte Carlo simulations, features the NDX moderator made of polyethylene embedding a layer of BeCu alloy inside, with the dose rate response constant within ±10% in the neutron energy range from about 100 keV to 500 MeV, and ±25% essentially in the full energy range above thermal. A new sensor technique implemented in the NDX is based on using the Ionization Chamber (IC) filled with 3He gas to capture the moderated neutron fluence, and includes a symmetric IC filled with regular 4He to evaluate the contributions due to the non-neutron ionizing radiation. Advantages of the method include large accessible dynamic range, relative insensitivity of the IC probes to photon radiation fields, and the ability to subtract their contribution. Two prototype NDX detectors were built, calibrated, and operated in various conditions at the CEBAF 12 GeV electron accelerator at JLab. The first results showed reliable neutron dose rate measurements in the presence of overwhelming photon radiation fields, and at practical high dose rate levels of up to approximately 10 Sv/h. Detector design, operation, first results, and further development plans are presented.

Degtiarenko, Pavel V.↗
DOE OSTI2015

SU-E-T-400: Evaluation of Shielding and Activation at Two Pencil Beam Scanning Proton Facilities

Purpose: To verify acceptably low dose levels around two newly constructed identical pencil beam scanning proton therapy facilities and to evaluate accuracy of pre-construction shielding calculations. Methods: Dose measurements were taken at select points of interest using a WENDI-2 style wide-energy neutron detector. Measurements were compared to pre-construction shielding calculations. Radiation badges with neutron dose measurement capabilities were worn by personnel and also placed at points throughout the facilities. Seven neutron and gamma detectors were permanently installed throughout the facility, continuously logging data. Potential activation hazards have also been investigated. Dose rates near water tanks immediately after prolonged irradiation have been measured. Equipment inside the treatment room and accelerator vault has been surveyed and/or wipe tested. Air filters from air handling units, sticky mats placed outside of the accelerator vault, and water samples from the magnet cooling water loops have also been tested. Results: All radiation badges have been returned with readings below the reporting minimum. Measurements of mats, air filters, cooling water, wipe tests and surveys of equipment that has not been placed in the beam have all come back at background levels. All survey measurements show the analytical shielding calculations to be conservative by at least a factor of 2. No anomalous events have been identified by the building radiation monitoring system. Measurements of dose rates close to scanning water tanks have shown dose rates of approximately 10 mrem/hr with a half-life less than 5 minutes. Measurements around the accelerator show some areas with dose rates slightly higher than 10 mrem/hr. Conclusion: The shielding design is shown to be adequate. Measured dose rates are below those predicted by shielding calculations. Activation hazards are minimal except in certain very well defined areas within the accelerator vault and for objects placed directly in the path of the beam.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2016

Comparison of the MCNP6 and FLUKA Codes in Shielding Calculation at ProNova Proton Therapy Facility

The Monte Carlo method is a powerful tool to simulate particle transport in materials, and can be effectively used to design radiation shielding. The purpose of this study is to compare the results from two Monte Carlo codes (MCNP6 and FLUKA ) in shielding design. The calculation was also compared with the measured results from the ProNova Superconducting 360 degrees (SC360) installation at the Knoxville Provision Center for Proton Therapy (PCPT) facility. The SC360 230 MeV continue wave (CW) proton beam is produced by an isochronous cyclotron, the Sumitomo P235. The maximum beam that is extracted into the beamline is 300 nA, which is of 60% of the full current generated in cyclotron. The SC360 facility has an energy selection system for adjusting the proton range, one fixed beam and one gantry room for rotating the beam around the stationary patient. At the entrance to each treatment room beamline, a thickness adjustable Beryllium degrader inserted in the beam path is used to achieve the desirable beam energy. When protons interact with beamline components, the secondary neutrons become the dominant source to determine the radiation shielding. In this study, the dose rate outside the lateral wall of the beamline vault was discussed. The calculations from two Monte Carlo codes were compared and they agreed very well. The dose rates measured by a Wendi-II Neutron Detector agreed within a factor of less than seven compared with the calculation results. The difference may be explained by a variety of factors such as the uncertainty in knowing the exact composition of shielding materials, geometry difference, and the measurement uncertainty due to instrumentation. (authors)

61 RADIATION PROTECTION AND DOSIMETRY↗
DOE OSTI2021

Summary of the the 11th Symposium of the International Society of Root Research

11th Symposium of the International Society of Root Research (ISRR11) and the 9th International Symposium on Root Development (Rooting2021) - Root Biology Never Sleeps virtual meeting May 24 - 28. These meetings are generally held in separate years. However, because of travel restrictions imposed by the COVID-19 pandemic, the organizing committees of both symposia decided to host the two meetings as a fully-joint and virtual-only conference. Various time zones were considered when developing the schedule, as live interactions was an important focus. Scientific sessions were held from 3 a.m. to 10 p.m. US Central Daylight Time (CDT) to meet the international demand. More than 700 participants from 52 countries virtually attend both events which featured 74 talks in 16 sessions including: 10 plenary lectures, 16 keynote speakers and 48 selected talks. Additionally, nearly 300 posters were presented in nine poster sessions. The meeting also featured an Ambassador Program with 21 ambassadors from 10 countries. These ambassadors organized a half-day pre-symposium workshop and produced a review of the meeting for “New Phytologist”. The meeting also awarded a Lifetime Award to Dr. Wendy Silk (Prof. Emerita University of California, Davis). Committee Members: • Bob Sharp (Chair) – University of Missouri • Felix Fritschi (Chair, Int’l Program Committee) – University of Missouri • David Braun – University of Missouri • Vicki Bryan – University of Missouri • Rich Ferrieri – University of Missouri • Laura Greeley – University of Missouri (postdoctoral representative) • Ali Housh – University of Missouri (graduate student representative) • Allison Miller – Donald Danforth Plant Science Center and St Louis University • Mel Oliver – University of Missouri • Jonathan Stemmle – University of Missouri • Gus Thies – University of Missouri & Donald Danforth Plant Science Center (graduate student representative) • Chris Topp - Donald Danforth Plant Science Center

Root Biology↗
DOE OSTI2015

Understanding Small-Molecule Interactions in Metal-Organic Frameworks: Coupling Experiment with Theory

Metal-organic frameworks (MOFs) have gained much attention as next generation porous media for various applications, especially gas separations/storage and catalysis. New MOFs are regularly reported; however, to develop better materials in a timely manner for specific applications, the interactions between guest molecules and the internal surface of the framework must first be understood. In this review, we present a combined experimental and theoretical approach that proves essential for the elucidation of small-molecule interactions in a model MOF system known as M 2 (dobdc) (dobdc 4– = 2,5-dioxido-1,4-benzenedicarboxylate; M = Mg, Mn, Fe, Co, Ni, Cu, or Zn), a material whose adsorption properties can be readily tuned via chemical substitution. Here, we additionally show that the study of extensive families like this one can provide a platform to test the efficacy and accuracy of developing computational methodologies in slightly varying chemical environments, a task that is necessary for their evolution into viable, robust tools for screening large numbers of materials.

36 MATERIALS SCIENCE↗
DOE OSTI2016

Covalent Attachment of the Water‐insoluble Ni(P Cy 2 N Phe 2 ) 2 Electrocatalyst to Electrodes Showing Reversible Catalysis in Aqueous Solution

Abstract Hydrogenases are a diverse group of metalloenzymes which catalyze the reversible conversion between molecular hydrogen and protons at high rates. The catalytic activity of these enzymes does not require overpotential because their active site has been evolutionarily optimized to operate fast and efficiently. These enzymes have inspired the development of molecular catalysts, which have dramatically improved in efficiency in recent years, to the point that some synthetic catalysts even outperform hydrogenases under certain conditions. In this work, we use a reversible noble‐metal‐free homogeneous catalyst, the [Ni(P Cy 2 N Phe 2 ) 2 ] 2+ complex, and we covalently immobilize it on a functionalized highly oriented pyrolytic graphite “edge” (HOPG e ) electrode surface. This catalyst is not water soluble, but once it is surface‐confined on the electrode, it maintains its catalytic properties in aqueous solutions, showing reversibility for H 2 oxidation/reduction. Immobilization of the [Ni(P Cy 2 N Phe 2 ) 2 ] 2+ complex onto a multi‐walled carbon nanotubes coated electrode leads to even higher catalytic current densities and enhanced stability.

Rodríguez‐Maciá, Patricia↗
DOE OSTI2015

Impacts of rising air temperatures and emissions mitigation on electricity demand and supply in the United States: a multi-model comparison

The electric power sector both affects and is affected by climate change. Numerous studies highlight the potential of the power sector to reduce greenhouse gas emissions. Yet fewer studies have explored the physical impacts of climate change on the power sector. The present analysis examines how projected rising temperatures affect the demand for and supply of electricity. We apply a common set of temperature projections to three well-known electric sector models in the United States: the US version of the Global Change Assessment Model (GCAM-USA), the Regional Electricity Deployment System model (ReEDS), and the Integrated Planning Model (IPM®). Incorporating the effects of rising temperatures from a control scenario without emission mitigation into the models raises electricity demand by 1.6 to 6.5 % in 2050 with similar changes in emissions. The increase in system costs in the reference scenario to meet this additional demand is comparable to the change in system costs associated with decreasing power sector emissions by approximately 50 % in 2050. This result underscores the importance of adequately incorporating the effects of long-run temperature change in climate policy analysis.

McFarland, James↗