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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 721 records · Page 40
All sourcesNASA NTRSDOE OSTI
DOE OSTI2015

Neutron-detecting apparatuses and methods of fabrication

Neutron-detecting structures and methods of fabrication are provided which include: a substrate with a plurality of cavities extending into the substrate from a surface; a p-n junction within the substrate and extending, at least in part, in spaced opposing relation to inner cavity walls of the substrate defining the plurality of cavities; and a neutron-responsive material disposed within the plurality of cavities. The neutron-responsive material is responsive to neutrons absorbed for releasing ionization radiation products, and the p-n junction within the substrate spaced in opposing relation to and extending, at least in part, along the inner cavity walls of the substrate reduces leakage current of the neutron-detecting structure.

36 MATERIALS SCIENCE↗
DOE OSTI2017

Development of a Reduced-Order Three-Dimensional Flow Model for Thermal Mixing and Stratification Simulation during Reactor Transients

Mixing, thermal-stratification, and mass transport phenomena in large pools or enclosures play major roles for the safety of reactor systems. Depending on the fidelity requirement and computational resources, various modeling methods, from the 0-D perfect mixing model to 3-D Computational Fluid Dynamics (CFD) models, are available. Each is associated with its own advantages and shortcomings. It is very desirable to develop an advanced and efficient thermal mixing and stratification modeling capability embedded in a modern system analysis code to improve the accuracy of reactor safety analyses and to reduce modeling uncertainties. An advanced system analysis tool, SAM, is being developed at Argonne National Laboratory for advanced non-LWR reactor safety analysis. While SAM is being developed as a system-level modeling and simulation tool, a reduced-order three-dimensional module is under development to model the multi-dimensional flow and thermal mixing and stratification in large enclosures of reactor systems. This paper provides an overview of the three-dimensional finite element flow model in SAM, including the governing equations, stabilization scheme, and solution methods. Additionally, several verification and validation tests are presented, including lid-driven cavity flow, natural convection inside a cavity, laminar flow in a channel of parallel plates. Based on the comparisons with the analytical solutions and experimental results, it is demonstrated that the developed 3-D fluid model can perform very well for a wide range of flow problems.

Hu, Rui↗
DOE OSTI2023

Exploration of Potential Superconducting Multi-Mode Cavity Architectures for Quantum Computing

This thesis describes the investigation of superconducting multi-mode cavity architecture for superconducting transmon-based quantum computing. The dissertation highlights useful features of radio-frequency cavities used for quantum computing, with a brief discussion on the advantages of superconducting cavities. In the subsequent section, the concept of transmon is introduced and the mechanism of coupling with a cavity is analyzed. Once the foundations of the topic are laid down, the thesis focuses on optimizing a multi-mode superconducting rf cavity design originally developed for high-energy physics applications. Such section articulates in two main parts, the first part concerning the "bare" cavity remake via finite-elements eigenmode simulations using a computer-aided design software called CST Studio Suite®. In the second part, a transmon qubit is physically inserted into the modified cavity to assess the qubit-cavity coupling of the new design. In evaluating said coupling, two distinct analysis methods are used, namely the black-box quantization method and the energy participation ratio method, both implemented using Ansys® High-Frequency Electromagnetic-Field Simulator, or HFSS™. Results from the two evaluations, compared together, show that the optimized design meets the requisites to be used for quantum computing purposes.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2025

Depolarization self-compensation in high-power lasers enabled by a mid-cavity quartz rotator

Depolarization from thermal stress remains a major limitation in high-average-power laser amplifiers, often addressed by complex, costly active methods or by using magneto-optical effects to restore the polarization. We demonstrate a passive polarization self-compensation technique using a quartz rotator in a relay-imaged, multi-pass amplifier geometry. A detailed theoretical framework is presented and validated experimentally, showing a 47 × reduction in depolarized light in a relay-imaged 4-pass cavity. This approach employs a high-damage-threshold, reciprocal material and avoids the use of polarizers or active controls, thereby simplifying system design and reducing costs. Scalability is discussed for realistic inertial fusion energy driver designs, including effectiveness for broadband lasers and thick gain media.

Batysta, František [Lawrence Livermore National La↗
DOE OSTI2018

High-Temperature Sapphire Pressure Sensors for Harsh Environments

The project aimed to develop and characterize an optical pressure sensor capable of withstanding high temperatures, up to 1000 °C. Survivability in harsh environments was enabled using sapphire for both the substrate and the optical fibers, therefore mitigating thermal expansion mismatch. Such material cannot be machined through conventional microfabrication techniques, and unique additive and subtractive methods had to be studied and implemented. Subtractive methods included laser-machining the sapphire substrate using a picosecond laser machining tool. At first, the parameters of importance were theoretically and experimentally evaluated such that the fluence, the pulse spacing, and the number of passes were found to strongly influence the laser ablation process. A simulation tool was designed to predict the final pattern when inputting a set of parameters and a profile. This model was complemented with laser ablation material physics models and Bayesian uncertainty analysis for one dimensional and three dimensional ablation processes. An additive process called thermocompression bonding was studied in order to seal the diaphragm substrate to the back cavity. At first, bonding strength using this technique was examined using the chevron-notch method that allow to determine the fracture toughness of this bond. This parameter is independent of the geometry used and therefore can be extended to other geometries used in actual sensor bonding. A theoretical and experimental study of internal damage caused by the laser micromachining of the sapphire material was carried out. The research identified enhanced strength and fracture toughness along laser ablated surfaces. This was determined using bend bar specimens and Vicker’s microindentations. Softening of the plasticity behavior (as indicated by nanoindentation experiments) was also investigated using finite deformation plasticity modeling via a contact mechanics finite element simulation. Good correlations between experiments and the model were achieved to determine material parameters that can be used in future MEMS based sensor design and modeling to minimize sensor failure loads. The enhanced strength and fracture toughness was determined to be due to compressive residual stress near laser ablated surfaces. This was confirmed through x-ray spectra taken along different crystal structure planes in combination and Bayesian uncertainty analysis. The Bayesian analysis inferred the entire residual strain tensor (six components) and the residual stress tensor. The results illustrated compressive in-plane stress was the most likely cause of enhanced strength and toughness after laser machining. Due to major equipment failures, a parallel route for fabricating the sensor was taken, using commercially available sapphire removal method (subtractive) and ceramic adhesive bonding (additive). The fully-packaged sensor utilized laser micromachining for the sapphire substrate fabrication and was comprised only of high-temperature-compatible materials. Calibration tests of the sensor in both room-temperature and high-temperature plane-wave tubes showed good linearity and consistent frequency response, in the tested frequency range. The sensor also showed good thermal stability in tests up to 300 °C, proving the fiber-optic lever and its packaging process to be a promising approach for high-temperature measurements. The calibration from 23 °C to 300 °C gave a raw sensitivity of 3.9 × 10 -7 V/Pa and a normalized sensitivity of 9.8 × 10 -8 Pa -1 which were consistent within the temperature range. The sensor had a resonance at 16.3 kHz and a flat band (±3 dB) up to 10.3 kHz. The noise floor of the sensor at 1 kHz was 316 nV/Hz 1/2 , resulting in a MDP of 0.8 Pa. Previously, diaphragm delamination due to CTE mismatch was found at 500 °C, causing packaging failure. Unfortunately high temperature validation in hot jet environment could not be made in time. In the future, it is suggested that the two sapphire substrates be bonded by thermal compression bonding with an intermediate platinum layer instead of using an alumina-based adhesive, and therefore achieve higher temperature capacity up to 1000 °C.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2023

Surface properties and RF performance of Vapor Diffused Nb3Sn on Nb after sequential anneals below 1000 °C

Nb3Sn is a next-generation superconducting material that can be used for future superconducting radiofrequency (SRF) accelerator cavities, promising better performance, cost reduction, and higher operating temperature than Nb. The Sn vapor diffusion method is currently the most preferred and successful technique to coat niobium cavi-ties with Nb3Sn. Among post-coating treatments to opti-mize the coating quality, higher temperature annealing without Sn is known to degrade Nb3Sn because of Sn loss. We have investigated Nb3Sn/Nb samples briefly annealed at 800-1000 °C for 10 and 20 minutes to poten-tially improve the surface to enhance the performance of Nb3Sn-coated cavities. Following the sample studies, a coated single-cell cavity was sequentially annealed at 900 °C and tested its performance each time, improving the cavity's quality factor relatively. This paper summarizes the sample studies and discusses the RF test results from sequentially annealed SRF Nb3Sn/Nb cavity.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2023

Surface Properties and RF Performance of Vapor Diffused Nb3Sn on NB After Sequential Anneals Below 1000°C

Nb3Sn is a next-generation superconducting material that can be used for future superconducting radiofrequency (SRF) accelerator cavities, promising better performance, cost reduction, and higher operating temperature than Nb. The Sn vapor diffusion method is currently the most preferred and successful technique to coat niobium cavi-ties with Nb3Sn. Among post-coating treatments to opti-mize the coating quality, higher temperature annealing without Sn is known to degrade Nb3Sn because of Sn loss. We have investigated Nb3Sn/Nb samples briefly annealed at 800-1000°C for 10 and 20 minutes to poten-tially improve the surface to enhance the performance of Nb3Sn-coated cavities. Following the sample studies, a coated single-cell cavity was sequentially annealed at 900°C and tested its performance each time, improving the cavity's quality factor relatively. This paper summarizes the sample studies and discusses the RF test results from sequentially annealed SRF Nb3Sn/Nb cavity.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2022

A Fast Mechanical Tuner for SRF Cavities

There is a particular need for fast tuners and phase shifters for advanced superconducting accelerator RF systems. The tuners based on ferrite, ferroelectric and piezo materials are commonly used. However, those methods suffer from one or another issue of high power loss, slow response, and narrow tuning range. We propose a robust, fast (up to ~5 MHz/sec), high efficient mechanical tuner for SRF cavities operating at the frequency 50 MHz. We develop an external mechanical tuner that is strongly coupled to the cavity. The tuner design represents a trade-off of high efficiency (low RF losses and low heat flux) and frequency tunability range. Our approach solves this trade-off issue. We propose RF design which exploits two coupled resonators so that a main high-field cavity is controlled with a small tunable resonator with a flexible metallic wall operating in a relatively low RF field. Simulations, carried out for a 7.5 MV/m 50 MHz SRF Quarter Wave Resonator (QWR), show that frequency tunability at level 10⁻³ is obtainable.

43 PARTICLE ACCELERATORS↗
DOE OSTI2020

Nozzle assembly and method for forming nozzle assembly

A nozzle assembly is disclosed, including a CMC nozzle shell, a nozzle spar, and an endwall. The CMC nozzle shell includes a CMC composition and an interior cavity. The nozzle spar is partially disposed within the interior cavity and includes a metallic composition, a cross-sectional conformation, a plurality of spacers protruding from the cross-sectional conformation, the plurality of spacers contacting the CMC nozzle shell, and a spar cap. The endwall includes at least one surface in lateral contact with the spar cap and maintains a lateral orientation of the CMC nozzle shell and the nozzle spar relative to the endwall. The lateral orientation maintains a predetermined throat area of the nozzle assembly. A method for forming the nozzle assembly includes inserting the nozzle spar into the interior cavity, rotating the CMC nozzle shell and the nozzle spar laterally relative to the endwall, and maintaining the lateral orientation.

Hafner, Matthew Troy↗
NASA NTRS2020

Automated Cardiovascular Pathology Assessment using Semantic Segmentation and Ensemble Learning

Cardiac magnetic resonance imaging provides high spatial resolution, enabling improved extraction of important functional and morphological features for cardiovascular disease staging. Segmentation of ventricular cavities and myocardium in cardiac cine sequencing provides a basis to quantify cardiac measures such as ejection fraction. A method is presented that curtails the expense and observer bias of manual cardiac evaluation by combining semantic segmentation and disease classification into a fully automatic processing pipeline. The initial processing element consists of a robust dilated convolutional neural network architecture for voxel-wise segmentation of the myocardium and ventricular cavities. The resulting comprehensive volumetric feature matrix captures diagnostic clinical procedure data and is utilized by the final processing element to model a cardiac pathology classifier. Our approach evaluated anonymized cardiac images from a training data set of 100 patients (4 pathology groups, 1 healthy group, 20 patients per group) examined at the University Hospital of Dijon. The top average Dice index scores achieved were 0.940, 0.886, 0.849 for structure segmentation of the left ventricle (LV), myocardium and right ventricle (RV) respectively. A 5-ary pathology classification accuracy of 90% was recorded on an independent test set using the trained model. Performance results demonstrate potential for advanced machine learning methods to deliver accurate, efficient and reproducible cardiac pathological assessment.

Semantic Segmentation↗
DOE OSTI2016

On the applicability of one- and many-electron quantum chemistry models for hydrated electron clusters

We evaluate the applicability of a hierarchy of quantum models in characterizing the binding energy of excess electrons to water clusters. In particular, we calculate the vertical detachment energy of an excess electron from water cluster anions with methods that include one-electron pseudopotential calculations, density functional theory (DFT) based calculations, and ab initio quantum chemistry using MP2 and eom-EA-CCSD levels of theory. The examined clusters range from the smallest cluster size (n = 2) up to nearly nanosize clusters with n = 1000 molecules. The examined cluster configurations are extracted from mixed quantum-classical molecular dynamics trajectories of cluster anions with n = 1000 water molecules using two different one-electron pseudopotenial models. We find that while MP2 calculations with large diffuse basis set provide a reasonable description for the hydrated electron system, DFT methods should be used with precaution and only after careful benchmarking. Strictly tested one-electron psudopotentials can still be considered as reasonable alternatives to DFT methods, especially in large systems. The results of quantum chemistry calculations performed on configurations, that represent possible excess electron binding motifs in the clusters, appear to be consistent with the results using a cavity structure preferring one-electron pseudopotential for the hydrated electron, while they are in sharp disagreement with the structural predictions of a non-cavity model.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2017

Natural convection in a cubical cavity with a coaxial heated cylinder

High-resolution three-dimensional simulations were conducted to investigate the velocity and temperature fields in a cold cubical cavity due to natural convection induced by a centrally placed hot cylinder. Unsteady, incompressible Navier-Stokes equations were solved by using a spectral- element method for Rayleigh numbers ranging from 10 3 to 10 9 . The effect of spanwise thermal boundary conditions, aspect ratio (radius of the cylinder to the side of the cavity), and spanwise temperature distribution of the inner cylinder on the velocity and thermal fields were investigated for each Rayleigh number. Results from two-dimensional calculations were compared with three-dimensional simulations. The 3D results indicate a complex flow structure in the vicinity of the spanwise walls. The results also show that the imposed thermal wall boundary condition impacts the flow and temperature fields strongly near the spanwise walls. The variation of the local Nusselt number on the cylinder surface and enclosure walls at various spanwise locations was also investigated. The local Nusselt number on the cylinder surface and enclosure walls at the cavity mid-plane (Z = 0) is close to 2D simulations for 10 3 ≤ Ra ≤ 10 8 . Simulations also show a variation in the local Nusselt number, on both the cylinder surface and the enclosure walls, in the spanwise direction, for all Rayleigh numbers studied in this work. The results also indicate that if the enclosure walls are insulated in the spanwise direction (as opposed to a constant temperature), the peak Nusselt number on the enclosure surface occurs near the spanwise walls and is about 20% higher than the peak Nusselt number at the cavity mid-plane. The temporal characteristics of 3D flows are also different from 2D results for Ra > 10 8 . Furthermore, these results suggest that 3D simulations would be more appropriate for flows with Ra > 10 8 .

42 ENGINEERING↗
DOE OSTI2014

Gas storage materials, including hydrogen storage materials

A material for the storage and release of gases comprises a plurality of hollow elements, each hollow element comprising a porous wall enclosing an interior cavity, the interior cavity including structures of a solid-state storage material. In particular examples, the storage material is a hydrogen storage material, such as a solid state hydride. An improved method for forming such materials includes the solution diffusion of a storage material solution through a porous wall of a hollow element into an interior cavity.

08 HYDROGEN↗
DOE OSTI2015

Hydroforming of elliptical cavities

Activities of the past several years in developing the technique of forming seamless (weldless) cavity cells by hydroforming are summarized. An overview of the technique developed at DESY for the fabrication of single cells and multicells of the TESLA cavity shape is given and the major rf results are presented. The forming is performed by expanding a seamless tube with internal water pressure while simultaneously swaging it axially. Prior to the expansion the tube is necked at the iris area and at the ends. Tube radii and axial displacements are computer controlled during the forming process in accordance with results of finite element method simulations for necking and expansion using the experimentally obtained strain-stress relationship of tube material. In cooperation with industry different methods of niobium seamless tube production have been explored. The most appropriate and successful method is a combination of spinning or deep drawing with flow forming. Several single-cell niobium cavities of the 1.3 GHz TESLA shape were produced by hydroforming. They reached accelerating gradients E acc up to 35 MV/m after buffered chemical polishing (BCP) and up to 42 MV/m after electropolishing (EP). More recent work concentrated on fabrication and testing of multicell and nine-cell cavities. Several seamless two- and three-cell units were explored. Accelerating gradients E acc of 30–35 MV/m were measured after BCP and E acc up to 40 MV/m were reached after EP. Nine-cell niobium cavities combining three three-cell units were completed at the company E. Zanon. These cavities reached accelerating gradients of E acc = 30–35 MV/m. One cavity is successfully integrated in an XFEL cryomodule and is used in the operation of the FLASH linear accelerator at DESY. Additionally the fabrication of bimetallic single-cell and multicell NbCu cavities by hydroforming was successfully developed. Several NbCu clad single-cell and double-cell cavities of the TESLA shape have been fabricated. The clad seamless tubes were produced using hot bonding or explosive bonding and subsequent flow forming. The thicknesses of Nb and Cu layers in the tube wall are about 1 and 3 mm respectively. The rf performance of the best NbCu clad cavities is similar to that of bulk Nb cavities. The highest accelerating gradient achieved was 40 MV/m. The advantages and disadvantages of hydroformed cavities are discussed in this paper.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Perspective on Many-Body Methods for Molecular Polaritonic Systems

Recent advances in strong light–matter interactions have revealed a wealth of new physical phenomena in molecules embedded in optical cavities, including modified chemical reactivity, altered excitation spectra, and novel quantum correlations. To describe these effects from first-principles, the field of ab initio quantum electrodynamics (QED) has emerged as a compelling extension of quantum chemistry that treats electronic and photonic degrees of freedom on equal footing. In this Perspective, we review the growing landscape of many-body QED methods, including Hartree–Fock, density functional theory (QEDFT), time-dependent DFT (QED-TDDFT), configuration interaction (QED-CI), complete active space (QED-CASSCF), coupled cluster (QED-CC), quantum Monte Carlo (QED-QMC), and density matrix renormalization group (QED-DMRG), highlighting recent developments and implementations. We further explore real-time methods, gradient and Hessian formalisms, and the integration of nonadiabatic nuclear dynamics. Applications range from benchmark simulations of polaritonic chemistry to quantum simulations on emerging quantum hardware. We conclude by outlining future directions for theory development and interdisciplinary efforts at the interface of quantum chemistry, condensed matter, and quantum optics.

36 MATERIALS SCIENCE↗
DOE OSTI2015

Scanning Synchronization of Colliding Bunches for MEIC Project

Synchronization of colliding beams is one of the major issues of an electron-ion collider (EIC) design because of sensitivity of ion revolution frequency to beam energy. A conventional solution for this trouble is insertion of bent chicanes in the arcs space. In our report we consider a method to provide space coincidence of encountering bunches in the crab-crossing orbits Interaction Region (IR) while repetition rates of two beams do not coincide. The method utilizes pair of fast kickers realizing a bypass for the electron bunches as the way to equalize positions of the colliding bunches at the Interaction Point (IP). A dipole-mode warm or SRF cavities fed by the magnetron transmitters are used as fast kickers, allowing a broad-band phase and amplitude control. The proposed scanning synchronization method implies stabilization of luminosity at a maximum via a feedback loop. This synchronization method is evaluated as perspective for the Medium Energy Electron-Ion collider (MEIC) project of JLab with its very high bunch repetition rate.

43 PARTICLE ACCELERATORS↗
DOE OSTI2019

Precision measurement of relative permittivity of aluminum oxide for a high power resonant waveguide window with low return loss

An iterative method of estimating permittivity and window thickness with high precision is developed for half wavelength resonant waveguide windows for use in a lower hybrid launcher for DIII-D. The high Q factor of half-wavelength windows results in extreme sensitivity of return loss on small deviations in permittivity. Permittivity and loss tangent measurements of Morgan AL-995 99.5% aluminum oxide ceramic using a waveguide resonant cavity per ASTM D2520-13 determine variation of permittivity with frequency. Measurement of window resonant frequency in conjunction with the slope of permittivity from waveguide cavity measurements determine required thickness of a resonant window within 5 MHz of the desired resonant frequency. Methods to improve measurement accuracy of resonant peaks on a vector network analyzer are discussed. A sensitivity study to dimensional variations in window or sample rod geometry, and shift in resonant frequency due to RF heating of the window material is conducted.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2021

Condensed Phase Water Molecular Multipole Moments from Deep Neural Network Models Trained on Ab Initio Simulation Data

Ionic solvation phenomena in liquids involve intense interactions in the inner solvation shell. For interactions beyond the first shell, the ion–solvent interaction energies result from the sum of many smaller-magnitude contributions that can still include polarization effects. Deep neural network (DNN) methods have recently found wide application in developing efficient molecular models that maintain near-quantum accuracy. In this work, we extend the DeePMD-kit code to produce accurate molecular multipole moments in the bulk and near interfaces. The new method is validated by comparing the DNN moments with those generated by ab initio simulations. The moments are used to compute the electrostatic potential at the center of a molecular-sized hydrophobic cavity in water. The results show that the fields produced by the DNN models are in quantitative agreement with the AIMD-derived values. These efficient methods will open the door to more accurate solvation models for large solutes such as proteins.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗