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At least 253 records · Page 14
All sourcesNASA NTRSDOE OSTI
DOE OSTI2023

Using 3D position sensitivity to reveal response non-uniformities in CdZnTe, TlBr, and CsPbBr 3 detectors

Position sensitivity enables the correction of response non-uniformities in room-temperature semiconductor detectors caused by crystal defects and other factors. It can also be used to pinpoint the exact location of crystal defects responsible for the response variations. This work describes a technique for revealing and visualizing the detector regions affecting the charge collection efficiency in CdZnTe (CZT), TlBr, and CsPbBr 3 detectors configured as position-sensitive virtual Frisch-grid (VFG) devices. The technique correlates the photopeak events in energy spectra with their spatial distributions inside the detectors using the position information. By selecting the events from narrow energy intervals within a photopeak, we can visualize the detector volumes with particular charge collection efficiencies, which, in turn, correlate with the locations of electrode and crystal defects. Here, we demonstrate this technique in several examples. Columnar structures in the volume plots (position distribution maps) are consistent with signal losses near or at the anode in selected samples of CZT and TlBr. Structures exhibiting a distinct depth dependence are consistent with grain boundaries or other crystal defects.

98 NUCLEAR DISARMAMENT, SAFEGUARDS, AND PHYSICAL P↗
DOE OSTI2020

An experimental investigation of the effectiveness of Ar-CO 2 shielding gas mixture for the wire arc additive process

Wire arc additive manufacturing (AM) is the process by which a large, metallic structure is built layer-by-layer using a welding arc to melt a wire feedstock. A novel opportunity exists to alter the shielding gas composition to fabricate distinct geometrical features without altering the other AM parameters. In this paper, shielding gases with varied concentrations of Argon (Ar) and CO 2 was used to deposit three distinct geometric shapes (walls, infill, and overhang) using a wire-based additive manufacturing system utilizing the gas metal arc welding (GMAW) surface tension transfer (STT) process. Computer-aided design (CAD) models were sliced with a custom-built slicer, and the sliced algorithm was converted into optimal robotic toolpaths. A custom virtual instrument (VI) was built in LabVIEW to compare the temperature profiles on the surface during each deposition process. After each deposition, the geometric features were scanned, and the surface waviness value was evaluated. Tensile and Charpy impact coupons were extracted from the wall geometries in the longitudinal and transverse directions and tested. The results indicated that a higher CO 2 content produced higher melt pool temperatures to an extent, while lower contents of CO 2 resulted in a dimensionally accurate geometry. The data also indicated that the 2%/98% CO 2 /Ar blend produced scatter in tensile strength and the analysis of variance (ANOVA) shows significant difference. However, the intermediate range of CO 2 (5–10%) resulted in uniform tensile properties. Altogether, these results indicate that a 5%/95% CO 2 /Ar blend is the ideal shielding gas for lowering process temperatures and improving mechanical properties in wire arc additive manufacturing using the gas metal arc welding surface tension transfer process. Additionally, varying concentrations of Ar/CO 2 can be used within the same part in order to modify the local properties or process parameters such as strength, toughness, temperature, or dimensional features. This may improve overall manufacturing quality without sacrificing specific properties.

42 ENGINEERING↗
DOE OSTI2014

Emergent Newtonian dynamics and the geometric origin of mass

We consider a set of macroscopic (classical) degrees of freedom coupled to an arbitrary many-particle Hamiltonian system, quantum or classical. These degrees of freedom can represent positions of objects in space, their angles, shape distortions, magnetization, currents and so on. Expanding their dynamics near the adiabatic limit we find the emergent Newton’s second law (force is equal to the mass times acceleration) with an extra dissipative term. In systems with broken time reversal symmetry there is an additional Coriolis type force proportional to the Berry curvature. We give the microscopic definition of the mass tensor. The mass tensor is related to the non-equal time correlation functions in equilibrium and describes the dressing of the slow degree of freedom by virtual excitations in the system. In the classical (high-temperature) limit the mass tensor is given by the product of the inverse temperature and the Fubini–Study metric tensor determining the natural distance between the eigenstates of the Hamiltonian. For free particles this result reduces to the conventional definition of mass. This finding shows that any mass, at least in the classical limit, emerges from the distortions of the Hilbert space highlighting deep connections between any motion (not necessarily in space) and geometry. We illustrate our findings with four simple examples. -- Highlights: •Derive the macroscopic Newton’s equation from the microscopic many-particle Schrödinger’s equation. •Deep connection between geometry and dynamics. •Geometrical interpretation of the mass of macroscopic object as deformation of Hilbert space. •Microscopic expression for mass and friction tensors.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2015

CS-Studio Scan System Parallelization

For several years, the Control System Studio (CS-Studio) Scan System has successfully automated the operation of beam lines at the Oak Ridge National Laboratory (ORNL) High Flux Isotope Reactor (HFIR) and Spallation Neutron Source (SNS). As it is applied to additional beam lines, we need to support simultaneous adjustments of temperatures or motor positions. While this can be implemented via virtual motors or similar logic inside the Experimental Physics and Industrial Control System (EPICS) Input/Output Controllers (IOCs), doing so requires a priori knowledge of experimenters requirements. By adding support for the parallel control of multiple process variables (PVs) to the Scan System, we can better support ad hoc automation of experiments that benefit from such simultaneous PV adjustments.

43 PARTICLE ACCELERATORS↗
DOE OSTI2020

Characterization of AGFA D4 and D3sc X-ray films in the 0.7 to 4.6 keV energy range

2020 High Temperature Plasma Diagnostic conference in Los Alamos, NM at LANL (Virtual conference) 12/14/2020-12/17/2020 web link: http://www.cvent.com/events/2020-high-temperatures-conference/event-summary-316fe078c3894ef5ab725d6bbdf69334.aspx This manuscript will appear in Review of Scientific Instruments part of the conference proceeding to the above conference

X-ray, Film, Characterization↗
DOE OSTI2024

Large-scale simulation-based parametric analysis of an optimal precooling strategy for demand flexibility in a commercial office building

Achieving success with grid-interactive efficient buildings (GEBs) is closely tied to the utilization of flexible loads. A valuable strategy involves the implementation of precooling techniques before high-demand events, such as peak hours, by adjusting zone air temperature setpoints. This leads to a reduction in thermal loads and peak electricity demand during these times, as the building’s thermal mass stores and subsequently releases thermal energy. However, the effectiveness of the pre-cooling optimization is highly contingent on specific conditions such as building thermal properties, weather conditions, utility rate structure, HVAC equipment sizing, etc. Therefore, investigating the impacts of these condition-specific factors is crucial, especially when considering precooling strategies that utilize thermal mass in commercial buildings. In this paper, we first devised a novel heuristic control approach that incorporates parameterized optimal precooling thermostat schedules to enhance demand flexibility in a commercial office building. Subsequently, we conducted a thorough performance evaluation of this control strategy. Here, the optimal thermostat schedule was parameterized using three optimization variables: the precooling start time, the precooling end time, and the precooling temperature setpoint. Utilizing the DOE medium-sized office building as the virtual testbed, we showed that the parameterized schedule effectively approximates model predictive control and requires drastically reduced computational overhead. In addition, we investigated the impact of different influencing factors on the optimal precooling strategy. These factors include building thermal mass, outdoor air conditions, and energy price profiles. Using high-performance computing, we simulated a total of 225 scenarios, consisting of three levels of thermal mass, five typical outdoor air temperature profiles, and fifteen time-of-use price plans. The results demonstrate that optimal thermostat scheduling could save substantial energy cost in medium-sized office buildings with heavy thermal mass but with some energy penalty. Although the potential for cost savings is lower in buildings with low and medium thermal mass, the energy penalty remains consistent in all three thermal mass scenarios. The study also highlights the need to account for zone diversity and recognize that a one-size-fits-all-zone setpoint schedule may not be suitable for all zones and can lead to unnecessary energy wastage. Furthermore, the results highlight that while outdoor air conditions play a role in cost and energy performance, the cooling load exerts a more immediate and substantial influence on cost savings in precooling strategies. Although cost savings are comparable under certain conditions with the same cooling load, observed deviations in energy penalty indicate potential disparities in the efficiency of the HVAC system during the load-shifting process. In addition, the duration of peak pricing and the ratio between peak and off-peak times exhibit clear correlations with cost savings and energy consumption, aligning with intuitive expectations. These findings offer valuable insights for optimizing precooling strategies in office buildings.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
DOE OSTI2021

Progress Report on Performance of A709 and G91 Steels in Sodium

Specimens in six different processing and heat treatment conditions of A709 H58776 were exposed to sodium at 550, 600, and 650°C, respectively for various exposure times. G91 base metal was tested in sodium at 550, 600, and 650°C, and G91 weldment at 550 and 600°C, respectively. Parallel thermal aging experiments were conducted on G91 and A709 to obtain thermal aging data for comparison with sodium exposure results to separate the thermal and sodium effects. The corrosion data obtained on A709 steel continue to show low corrosion rates, which indicate good compatibility of A709 with sodium when oxygen content is controlled. G91 has also shown acceptable corrosion rates over the temperature range of 550-650°C in sodium. Thermal aging or sodium exposures reduced the tensile strength, uniform elongation, and total elongation for A709 ESR, AOD specimens. These specimens consistently showed higher yield stress and tensile strength and lower uniform and total elongations after sodium exposure than after thermal aging under comparable testing conditions. It implies that there was an additional effect of sodium exposure that gave rise to an increase in tensile strength of A709. Dynamic strain aginginduced flow serrations were completely removed by either thermal aging or sodium exposure at 650°C, which imply that carbon or nitrogen in solution was removed from the solution and formed precipitates during aging or sodium exposures. The tensile data ruled out the possibility of decarburization under the sodium exposure conditions. The HOMO specimens behaved somewhat differently from the ESR and AOD specimens in sodium. While thermal aging and sodium exposures at 550 and 600°C decreased the yield stress and the ultimate tensile strength of G91, there was virtually no additional effect resulting from sodium exposures at these two temperatures. In contrast, sodium exposures at 650°C had a drastic effect on the yield stress and the ultimate tensile strength of G91. It is suggested that G91 experienced decarburization in the 650°C sodium environments. Carbon concentrations in sodium in the SMT-1 and SMT-2 loops were determined by a foil equilibration method. The estimated carbon concentration was in the range of 0.8-1.2 ppm in the SMT-1 loop and 0.3-0.7 ppm in the SMT-2 loop. The carbon activity in sodium in the SMT-2 loop was estimated to be 0.03-0.08 at 600°C, and 0.08-0.2 at 550°C. The carbon activity in sodium at 650°C in the SMT-1 loop was 0.04-0.07. Equilibrium simulation of the carburization – decarburization processes was conducted for A709 and G91 steels exposed in sodium environments at temperatures of 550-700°C. The carbon activity-concentration relationship for G91 was re-evaluated by considering four phases in G91, i.e. bcc ferrite, M 23 C 6 , NbC and VC carbides. It was found that the carburization-decarburization process in G91 steel was dictated by M 23 C 6 carbides at high carbon activities, while NbC carbides dominated the process at low carbon activities. Formation of NbC increases the decarburization resistance of G91 steel. It remains to be understood whether the decarburization resistance provided by MC carbides in G91 can be maintained during long-term operations of SFRs. The carbon concentration-activity relationship for A709 was calculated based on the equilibrium of fcc-austenite and M 23 C 6 carbide phase. The calculations showed that A709 decarburizes at 650°C in the SMT-1 loop environments, which is different from the experimental findings. The carbon concentration-activity relationship in A709 was further evaluated by considering four phases, including fcc-austenite, M 23 C 6 , NbC, and TiC carbide phases. TiC is the most stable carbides among the three carbide phases. The carburization-decarburization process in A709 is dictated by M 23 C 6 carbides at high carbon activities and by TiC at low carbon activities. Formation of TiC increases the decarburization resistance of A709 steel. Because of the complexity of the precipitation process in A709 during sodium exposures, detailed characterization of precipitates in sodium-exposed specimens and improved thermodynamic models are needed to understand the carburization-decarburization behavior of A709. Kinetic analysis of carbon transfer will be investigated for G91 and A709 in future work.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2016

Modeling and Analysis Methods for an On-line Enrichment Monitor

The International Atomic Energy Agency (IAEA) has developed an On-Line Enrichment Monitor (OLEM) as one possible component in a new generation of safeguards measures for uranium enrichment plants. The OLEM measures 235U emissions from the UF6 gas flowing through a unit header pipe using NaI(Tl) spectrometers, and corrects for gas density changes using pressure and temperature sensors in order to determine the enrichment of the gas as a function of time. In parallel with the OLEM instrument development, a Virtual OLEM (VOLEM) software tool has been developed that is capable of producing synthetic gamma-ray, pressure, and temperature data representative of a wide range of enrichment plant operating conditions. VOLEM complements instrument development activities and allows the study of OLEM for scenarios that will be difficult or impossible to evaluate empirically. Uses of VOLEM include: investigation of hardware design options; inter-comparison of candidate gamma-ray spectral analysis and enrichment estimation algorithms; uncertainty budget analysis and performance prediction for typical and atypical operational scenarios; and testing of the OLEM data acquisition, analysis and reporting software. This paper describes the technical foundations of VOLEM and illustrates how it can be used. An overview of the nominal instrument design and deployment scenario for OLEM is provided, with emphasis on the key online-assay measurement challenge: accurately determining the portion of the total 235U signal that comes from a background that includes solid uranium deposits on the piping walls. Monte Carlo modeling tools, data analysis algorithms and uncertainty quantification methods are described. VOLEM is then used to quantitatively explore the uncertainty budgets and predicted instrument performance for a plausible range of typical plant operating parameters, and one set of candidate analysis algorithms. Additionally, a series of VOLEM case studies illustrates how an online enrichment monitor might respond in scenarios expected to be atypical, for example weak pressure transients or significant changes in background levels.

Smith, Leon E.↗
NASA NTRS1988

Hydrometeor development in cold clouds in FIRE

The microphysical characteristics of cold clouds were examined using aircraft. The clouds investigated ranged in temperature from minus 20 to minus 46 C. Liquid water was detected in these clouds at minus 35 C and may exist at even colder temperatures. Aircraft patterns in the form of Lagrangian spirals were used to interpret particle growth processes. Significant broadening of the particle size spectra is observed with minor changes in the spectra at small sizes. Virtually all of the broadening observed is attributable to ice particle aggregation which occurs at all temperatures. The crystals comprising the aggregates are of comparable size, joined either at tips or edges, and are usually 2 in number at temperatures lower than minus 25 C, increasing to 3 or more at warmer temperatures. The data strongly suggest that sintering is the mechanism through which the crystals aggregate. Aggregation appears to be important in the transfer of water mass from upper to lower levels in clouds.

Heymsfield, Andrew J.↗
DOE OSTI2025

Uncooled GeSn MWIR Photodetectors Using Fully Relaxed Thin Triple‐Step Buffer

GeSn photodetectors monolithically grown on Ge virtual substrates demonstrate mid-wave infrared (MWIR) detection at room temperature. The lattice mismatch between GeSn and Ge causes dislocations and compressive strain, creating leakage pathways and unwanted indirect band transitions. Designed thin Ge 0.91 Sn 0.09 triple-step buffer layers of ≈175 nm total thickness reduce dislocations and enable full relaxation, showing 100% lattice relaxation and smooth surface roughness of 0.83 nm with shorter auto-correlation length in surface morphology compared to single-step buffers. Ge 1-x Sn x photodetectors (x = 0.09, 0.12, and 0.15) on triple-step buffers with n-i-p configurations achieve lattice strain relaxations of 99%, 88%, and 80%, respectively. Ge 0.91 Sn 0.09 and Ge 0.88 Sn 0.12 show gradual variation in auto-correlation amplitude, while Ge 0.85 Sn 0.15 shows an increase due to lattice mismatch. Shockley–Read–Hall recombination current dominates at low reverse bias due to mismatch-induced dislocations, while band-to-band tunneling current dominates at higher reverse bias due to narrowing bandgap under strong electric fields. Here, the photodetectors show extended spectral response with increasing Sn composition of i-GeSn active layer sandwiched by barriers. Ge 0.88 Sn 0.12 and Ge 0.85 Sn 0.15 exhibit extended wavelength cut-offs of 3.12 and 3.27 µm at room temperature, demonstrating significant potential for silicon-based MWIR applications.

GeSn↗
DOE OSTI2014

Search for bright nearby M dwarfs with virtual observatory tools

Using Virtual Observatory tools, we cross-matched the Carlsberg Meridian 14 and the 2MASS Point Source catalogs to select candidate nearby bright M dwarfs distributed over ∼25,000 deg{sup 2}. Here, we present reconnaissance low-resolution optical spectra for 27 candidates that were observed with the Intermediate Dispersion Spectrograph at the 2.5 m Isaac Newton Telescope (R≈ 1600). We derived spectral types from a new spectral index, R, which measures the ratio of fluxes at 7485-7015 Å and 7120-7150 Å. We also used VOSA, a Virtual Observatory tool for spectral energy distribution fitting, to derive effective temperatures and surface gravities for each candidate. The resulting 27 targets were M dwarfs brighter than J = 10.5 mag, 16 of which were completely new in the Northern hemisphere and 7 of which were located at less than 15 pc. For all of them, we also measured Hα and Na I pseudo-equivalent widths, determined photometric distances, and identified the most active stars. The targets with the weakest sodium absorption, namely, J0422+2439 (with X-ray and strong Hα emissions), J0435+2523, and J0439+2333, are new members in the young Taurus-Auriga star-forming region based on proper motion, spatial distribution, and location in the color-magnitude diagram, which reopens the discussion on the deficit of M2-4 Taurus stars. Finally, based on proper motion diagrams, we report on a new wide M dwarf binary system in the field, LSPM J0326+3929EW.

79 ASTRONOMY AND ASTROPHYSICS↗
NASA NTRS1992

Ions with low charges in the solar wind as measured by SWICS on board Ulysses

We present new data on rare ions in the solar wind. Using the Ulysses-SWICS instrument with its very low background we have searched for low-charge ions during a 6-d period of low-speed solar wind and established sensitive upper limits for many species. In the solar wind, we found He(1+)/He(2+) of less than 5 x 10 exp -4. This result and the charge state distributions of heavier elements indicate that all components of the investigated ion population went through a regular coronal expansion and experienced the typical electron temperatures of 1 to 2 million Kelvin. We argue that the virtual absence of low-charge ions demonstrates a very low level of nonsolar contamination in the source region of the solar wind sample we studied. Since this sample showed the FlP effect typical for low-speed solar wind, i.e., an enhancement in the abundances of elements with low first ionization potential, we conclude that this enhancement was caused by an ion-atom separation mechanism operating near the solar surface and not by foreign material in the corona.

Geiss, J.↗
DOE OSTI2014

Thin SiGe virtual substrates for Ge heterostructures integration on silicon

The possibility to reduce the thickness of the SiGe virtual substrate, required for the integration of Ge heterostructures on Si, without heavily affecting the crystal quality is becoming fundamental in several applications. In this work, we present 1 μm thick Si{sub 1−x}Ge{sub x} buffers (with x > 0.7) having different designs which could be suitable for applications requiring a thin virtual substrate. The rationale is to reduce the lattice mismatch at the interface with the Si substrate by introducing composition steps and/or partial grading. The relatively low growth temperature (475 °C) makes this approach appealing for complementary metal-oxide-semiconductor integration. For all the investigated designs, a reduction of the threading dislocation density compared to constant composition Si{sub 1−x}Ge{sub x} layers was observed. The best buffer in terms of defects reduction was used as a virtual substrate for the deposition of a Ge/SiGe multiple quantum well structure. Room temperature optical absorption and photoluminescence analysis performed on nominally identical quantum wells grown on both a thick graded virtual substrate and the selected thin buffer demonstrates a comparable optical quality, confirming the effectiveness of the proposed approach.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2022

Active learning of polarizable nanoparticle phase diagrams for the guided design of triggerable self-assembling superlattices

Polarizable nanoparticles are of interest in materials science because of their rich and complex phase behavior that can be used to engineer nanostructured materials with long-range crystalline order. To understand and rationally navigate the design space of polarizable nanoparticles for self-assembling highly ordered superlattices, we developed a coarse-grained computational model to describe the nanoparticle-nanoparticle interactions in implicit solvent and employ the computationally efficient image method to model many-body polarization interactions. We conducted high-throughput virtual screening over a five-dimensional particle design space spanned by temperature, particle size, particle charge, particle dielectric, and solvent dielectric using enhanced sampling molecular dynamics calculations within an active learning framework to efficiently map out the regions of thermodynamic stability of the self-assembled aggregates. We validate our predictions in comparisons against small angle x-ray scattering measurements of gold nanoparticles surface functionalized with metal chalcogenide ligands. Lastly, we use our validated phase maps to computationally design switchable nanostructured materials capable of triggered assembly and disassembly as a function of temperature and solvent dielectric with potential applications as sensors, smart windows, optoelectronic devices, and in medical diagnostics.

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

Metalorganic chemical vapor deposition-regrown Ga-rich InGaP films on SiGe virtual substrates for Si-based III-V optoelectronic device applications

Ga-rich InGaP materials are attractive applications for yellow-green spectral range optoelectronics such as light-emitting diodes and solar cells on silicon substrate. Bulk, Ga-rich InGaP films grown by metalorganic chemical vapor deposition on SiGe virtual substrates were investigated in the V/III compositional ratio range of 44.3–402 using chamber pressures from 100 to 200 mbar. These films were nominally lattice matched to the SiGe virtual substrate with a bandgap energy of 2.07–2.09 eV at low temperature (10 K). The authors show that the surface morphology of the Ga-rich InGaP films was dependent on the growth conditions, including the V/III gas phase ratio, pressure, and growth rate. By optimizing the growth conditions, the authors achieved improved surface morphologies of the Ga-rich InGaP films. The hillock density of the films produced using a V/III gas phase ratio of 44.3 and 75.4, a growth pressure of 100 mbar, and a growth rate of 0.9 μm/h was about an order of magnitude lower (30.3–50 × 104 cm−2) than that observed using higher V/III gas phase ratios such as 201 and 402. An increase in luminescence efficiency of Ga-rich InGaP materials was observed when the hillock density is lower. The authors discuss the mechanisms of the hillock formation.

Kim, TaeWan↗
NASA NTRS2003

Interplay Between Thin Film Ferroelectric Composition, Microstructure and Microwave Phase Shifter Performance

One of the keys to successfully incorporating ferroelectric films into Ku-band (12 to 18 GHz) phase shifters is to establish the composition, microstructure, and thickness required to meet the tuning needs, and tailor the film properties to meet these needs. Optimal performance is obtained when the film composition and device design are such that the device performance is limited by odd mode dielectric losses, and these losses are minimized as much as possible while still maintaining adequate tunability. The parameters required to maintain device performance will vary slightly depending on composition, but we can conclude that the best tuning-to-loss figures of merit (K-factor) are obtained when there is minimal variation between the in-plane and out-of-plane lattice parameters, and the full-width half maximum values of the BSTO (002) peaks are less than approximately 0.04 deg. We have observed that for phase shifters in which the ferroelectric crystalline quality and thickness are almost identical, higher losses are observed in films with higher BaISr ratios. The best performance was observed in phase shifters with Ba:Sr = 30:70. The superiority of this composition was attributed to several interacting factors: the B a: Sr ratio was such that the Curie temperature (180 K) was far removed from room temperature, the crystalline quality of the film was excellent, and there was virtually no difference between the inplane and out-of-plane lattice parameters of the film.

Mueller, Carl H.↗