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DOE OSTI2022

Process design for calcination of nickel-based cathode materials by in situ characterization and multiscale modeling

Developing battery materials towards commercial use, from the early discovery through synthesis, processing, scaling up, and eventually to industrial production, may take decades. A notable example is Ni-based layered oxides, which were discovered as early as 1950s and intensively pursued as cathode active materials (CAMs) since the early 90s but have yet to realize their full commercial potential. Significant efforts have been devoted to materials development aiming at improving performance, far less to process development for large-scale synthesis and processing of CAMs. In this paper, we present a rational design of calcination for scalable production of Ni-based CAMs. We start with an overview of the current understanding and knowledge gaps hindering rational process design and scaling-up of the calcination process. Then with specific examples, we demonstrate how to tackle those fundamental challenges through in situ characterization and multiscale modeling. Finally, we conclude by providing perspectives on the remaining challenges and emerging opportunities in commercial development of Ni-based cathodes, calling for more endeavors in this field.

25 ENERGY STORAGE↗

DOE OSTI2023

Domain Aware Deep-learning Algorithms Integrated with Scientific-computing Technologies (DADAIST)

This technical report summarized the contribution of the DADAIST project funded by the Data Model Convergence Initiative via the Laboratory Directed Research and Development (LDRD) investments at Pacific Northwest National Laboratory (PNNL). Specifically, we report the development of the NeuroMANCER (Neural Modules with Adaptive Nonlinear Constraints and Efficient Regularizations), a new open-source Scientific Machine Learning library for formulating and solving parametric constrained optimization problems, physics-informed system identification, and parametric optimal control problems. NeuroMANCER is using differentiable programming to combine modern data-driven models and optimization modeling language into a coherent algorithmic and software framework. NeuroMANCER is a Pytorch-based framework and adopts much of its philosophy focused on research and development, rapid prototyping, and streamlined deployment. Strong emphasis is given to extensibility, interoperability with the PyTorch ecosystem, and quick adaptability to custom domain problems. Neuromancer repository contains a comprehensive library of differentiable modules, including custom activation functions, matrix factorizations, deep learning architectures, neural differential equations, differential equation solvers, implicit layers such as iterative solvers, high-level API for symbolic expressions, API for modeling and control of dynamical systems, and extensive set of tutorial code examples in the form of python scripts and jupyter notebooks.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2024

Assembly of CMS Endcap MIP Timing Detector Module at FNAL

The High-Luminosity LHC (HL-LHC) will enable a more detailed exploration of new phenomena thanks to an anticipated increase in collisions where pileup is expected to reach approximately 200 simultaneous interactions. Many CMS systems will be significantly upgraded to prepare for this new era, including the MIP Timing Detector (MTD) project. The MTD is designed to mitigate the effect of pileup and is set to provide a timestamp accurate to 30 ~ 40 picoseconds for every event, ensuring sustained detector performance at HL-LHC. The MTD is divided into two sections, Barrel Timing Layer (BTL) and Endcap Timing Layer (ETL) which utilize different sensor and ASIC technologies due to the difference in active surfaces, irradiation conditions, and installation schedules. The ETL, composed of two double-sided disks, employs the Low Gain Avalanche Detector (LGAD) sensor and the Endcap Timing Readout Chip (ETROC). More than 8,000 modules, each consisting of four LGAD sensors and ETROCs are required for the ETL detector. These modules will be assembled using an automated robotic gantry that guarantees precise placement at a level of 10 micrometers. In addition, the full assembly of ETL modules includes film application with the jig, wire-bonding, encapsulation with the automated dispensing robot for protecting the wire-bonding, and film curing with a vacuum oven. This talk reports on the successfully completed throughput test with mockup components using the gantry and the successful assembly of real functional modules for beam tests at CERN and FNAL, including the first official ETL module.

Apresyan, Artur↗

DOE OSTI2024

C.9 Scribe NMAC Layer Video Development

This task incorporates NMAC insider threat principles and good practices into video format for aiding in training activities. It was labeled as Task C.9 under the FY24 Annex 1 for NA-211 SSM A&I Pillar. For activity development, the setting of a research and test reactor, RTR, was selected as the focus of this fiscal year. More specifically, a TRIGA reactor was selected for facility and reactor inspiration. FY 23/24 developed materials Research Reactor Facility Measures against the Insider Threat, LLNL-MI-839144, was used as a reference for selecting relevant, suggested mitigation measures to incorporate into the script and subsequent videos. Throughout the initial phases of development, discipline SMEs met with Scribe SMEs from Sandia National Laboratory to create the initial story arc and assess the limits of Scribe/Odin technologies available for the project. As a result, the decision for a two-fold deliverable was developed and utilized as the basis for script development efforts over the first half of the fiscal year.

99 GENERAL AND MISCELLANEOUS↗

DOE OSTI2024

Technical report Letter: RAFM, ODS steels and MMLC for Nuclear energy application

The lifetime, thermodynamic efficiency, safety and economic viability of new generation fission and fusion reactor concepts can largely be tied to the mechanical performance and stability of structural alloys under extreme environments. In this context, engineered nano materials could have broad-reaching impact on the future of advanced nuclear fuel-cycle and reactors. These systems are characterized by a large number density of interfaces which are efficient sinks for point defects and moderately biased; therefore limiting the deleterious effects of irradiation. Broadly, nuclear nano-technology deals with the use of the latest engineered-nanomaterials for improving the nuclear power performances and safety in all areas of nuclear energy production to bring new generations of nuclear power units. New advanced fuel assembly designs also have implications for securities and safeguards. To support the readiness for potential future license applications, an understanding of the technologies that would enable new reactor designs in the areas of component performance and domestic safeguards is necessary. This technical report letter work explores the technical issues and potential regulatory considerations associated with developing and adopting fuel claddings made of advanced nano- materials. Specifically three classes of nanomaterials are considered: (i) reduced activation ferritic/martensitic (RAFM) steels, (ii)oxide dispersed steels (ODS) and (iii) multi-metallic layered composites (MMLC).

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

NASA NTRS1975

Advances in superconducting quantum electronic microcircuit fabrication

Standard microelectronic fabrication techniques have been utilized to produce batch quantities of superconducting quantum electronic devices and circuits. The overall goal is a fabrication technology yielding circuits that are rugged and stable and capable of being fabricated controllably and reproducibly in sizeable quantities. Our progress toward this goal is presented, with primary emphasis on the most recent work, which includes the use of electron-beam lithography and techniques of hybrid microelectronics. Several prototype microcircuits have been successfully fabricated. These microcircuits are formed in a thin-film parent material consisting of layers of superconducting and normal metals, and use proximity-effect structures as the active circuit elements.

Kirschman, R. K.↗

NASA NTRS1984

The coupling between scales in shear flows

The relationship between large and small-scale motions in turbulent shear flows is studied using short-time correlation measurements. Boundary layers, plane and axisymmetric mixing layers, plane wakes, and the far fields of plane and circular jets are examined. The coupling is found to be significant in all flows. Phase reversal across the shear region is found to occur in the boundary layers and the mixing layers only. This is interpreted to mean that in these layers the streamwise extent of the large structure over which the small-scale activity reaches a peak moves from one transverse end of the large structure over which its ensemble-averaged u-fluctuation is positive to another where it is negative. In the far field of jets and wakes, the small-scale peak activity remains confined to that half of the streamwise extent of the large structure where its ensemble-averaged u-fluctuation is positive.

Bandyopadhyay, P. R.↗

NASA NTRS1987

Vertical profiles of ozone, carbon monoxide, and dew-point temperature obtained during GTE/CITE 1, October-November 1983

A set of 14 pairs of vertical profiles of ozone and carbon monoxide, obtained with fast-response instrumentation, is presented. Most of these profiles, which were measured in the remote troposphere, also have supporting fast-response dew-point temperature profiles. The data suggest that the continental boundary layer is a source of tropospheric ozone, even in October and November, when photochemical activity should be rather small. In general, the small-scale vertical variability between CO and O3 is in phase. At low latitudes this relationship defines levels in the atmosphere where midlatitude air is being transported to lower latitudes, since lower dew-point temperatures accompany these higher CO and O3 concentrations. A set of profiles which is suggestive of interhemispheric transport is also presented. Independent meteorological analyses support these interpretations.

Fishman, Jack↗

NASA NTRS1987

Comets, volcanism, the salt rich regolith and cycling of volatiles on Mars

The composition of the Martian surface and its evolution are examined, reviewing the results of recent theoretical models and composition estimates based on Viking lander analyses. The data are compiled in tables and characterized in detail, and a high degree of variation among the predictions is noted. The discussion centers on the possible roles of comets (as sources of volatiles), the salt rich regolith (as an important water sink), and volcanic activity (interfering with volatile-recycling processes and eventually producing a volatile depleted surface layer).

Clark, Benton C.↗

NASA NTRS1988

Watching a disappearing shield

The remote-sensing techniques used to monitor atmospheric ozone levels are reviewed, and recent results are discussed. The importance of the ozone layer as a shield for UV radiation is stressed, and the impact of human activities generating ozone-destroying compounds is considered. Ground-based, airborne, balloon-borne, and satellite remote-sensing methods are shown to complement each other to provide both global coverage and detailed structural information. Data obtained with the Nimbus-7 TOMS and solar-backscatter UV instruments are presented in graphs and briefly characterized.

Stolarski, Richard S.↗

NASA NTRS1993

Dispersed ion structures at the poleward edge of the auroral oval: Low-altitude observations and numerical modeling

We have compared the AUREOL 3 (A3) observations of auroral ion precipitation, particularly ion beams, with the results from the global kinetic model of magnetotail plasma of Ashour-Abdalla et al. (1993). We have identified 101 energetic keV H(+) velocity dispersed precipitating ion structures (VDIS) with fluxes above 10(exp -3) ergs./sq cm./s in the A3 record between the end of 1981 and mid-1984. These beams display a systematic increase in energy with increasing latitude and were observed in a narrow region within less than 1 deg in latitude of the polar cap boundary. The VDIS are the most distinctive feature in the auroral zone of the plasma sheet boundary layer. We report first on a statistical analysis of the possible ralationships between magnetic activity or substorm phase and the VDIS properties. Our particle simulations of the precipitating ions have been extended by using a series of modified versions of the Tsyganenko (1989) magnetic field model and by varying the cross-magnetosphere electric field. In the simulations, plasma from a mantle source is subject to strong nonlinear acceleration, forming beams which flow along the PSBL. Only 3 to 4% of these beams precipitate into the ionosphere to form the VDIS while the majority return to the equatorial plane after mirroring and form the thermalized central plasma sheet. The final energy and the dispersion of the beams in the model depend on the amplitude of the cross-tail electric field. Two unsual observations of low-energy (less than 5 keV) O(+) VDIS, shifted by 4 deg 5 deg in invariant latitude equatorward of H(+) VDIS are analyzed in detail. The sparsity of such O(+) events and the absence of the changes in the flux and frequency of occurrence indicate a solar wind origin for the plasma. Finally, large-scale kinetic modeling, even with its simplifications and assumptions (e.g., static magnetic field, solar wind source), reproduces low-altitude auroral ion features fairly well; it may therefore be presented as an appropriate framework into which data on energization and transport of the hot plasma, obtained in the equatorial plane, could be inserted in the near future.

Bosqued, J. M.↗

NASA NTRS1999

Microwave Enhancement in Coronal Holes: Structure, Variability and Magnetic Nature

The microwave enhancement in coronal holes in comparison with the quiet Sun is a distinct and easily observed signature related to the magnetic activity. This has proven to be a new tool to study the solar atmospheric layer where the fast solar wind originates. We have developed a catalog of a large number of coronal holes using images obtained by SOHO's Extreme-ultraviolet Imaging Telescope in EUV and by the Nobeyama radioheliograph in microwaves. We also have high resolution longitudinal magnetograms obtained by SOHO's Michelson Doppler Imager. We present the statistical properties of the microwave enhancements and discuss the small-scale dynamics as revealed by the magnetograms and radioheliograms. We also discuss the geoeffectiveness of these coronal holes.

Gopalswamy, N.↗

NASA NTRS2000

Relative Contributions of the Saharan and Sahelian Sources to the Atmospheric Dust Load Over the North Atlantic

It has long been recognized that Saharan desert is the major source for long range transport of mineral dust over the Atlantic. The contribution from other natural sources to the dust load over the Atlantic has generally been ignored in previous model studies or been replaced by anthropogenically disturbed soil emissions. Recently, Prospero et.at. have identified the major dust sources over the Earth using TOMS aerosol index. They showed that these sources correspond to dry lakes with layers of sediment deposed in the late Holocene or Pleistocene. One of the most active of these sources seem to be the Bodele depression. Chiapello et al. have analyzed the mineralogical composition of dust on the West coast of Africa. They found that Sahelian dust events are the most intense but are less frequent than Saharan plumes. This suggests that the Bodele depression could contribute significantly to the dust load over the Atlantic. The relative contribution of the Sahel and Sahara dust sources is of importance for marine biogeochemistry or atmospheric radiation, because each source has a distinct mineralogical composition. We present here a model study of the relative contributions of Sahara and Sahel sources to the atmospheric dust aerosols over the North Atlantic. The Georgia Tech/Goddard Global Ozone Chemistry Aerosol Radiation and Transport (GOCART) model is used to simulate dust distribution in 1996-1997. Dust particles are labeled depending on their sources. In this presentation, we will present the comparison between the model results and observations from ground based measurements (dust concentration, optical thickness and size distribution) and satellite data (TOMS aerosol index). The relative contribution of each source will then be analyzed spatially and temporally.

Ginoux, Paul↗

NASA NTRS2002

Looking at Ozone From a New Angle: Shuttle Ozone Limb Sounding Experiment-2 (SOLSE-2)

The ozone layer above Earth is our planet's fragile sunscreen, protecting people, vegetation, and wildlife. NASA has been measuring ozone for more than 20 years by looking down, but SOLSE-2 will show that more information is available by looking at ozone from the side, at Earth's limb or atmospheric boundary. When the ozone layer is compromised, increased ultraviolet (UV) levels from the sun cause health problems ranging from severe sunburns to skin cancer and cataracts. A concerted global effort has been made to reduce or eliminate the production of chemicals that deplete ozone, but the ozone layer is not expected to recover for many decades because these chemicals can remain active in the atmosphere for up to 100 years. We know now that ozone monitoring needs to be focused in the lower stratosphere. The discovery of the ozone hole in 1985 demonstrated that very large changes in ozone were occurring in the lower stratosphere near 20 km, instead of the upper stratosphere as first expected, and where current ozone instruments are focused. Measuring ozone from a tangential perspective that is centered at the limb provides ozone profiles concentrated in the lower stratosphere. The first flight of SOLSE proved that this technique achieves the accuracy and coverage of traditional measurements, and surpasses the altitude resolution and depth of retrieval of conventional techniques. Results from the first flight convinced the science community to design the next generation ozone monitoring satellite based on SOLSE. The Ozone Mapping and Profiling Suite (OMPS) is currently being built for the NPOESS satellite. The primary objective of SOLSE-2 is to confirm the promising results of the first flight over a wider range of viewing conditions and spectral wavelengths. Sometimes a really hard problem can be solved when you look at it from a different angle! While scientists conduct research, protect yourself by observing the UV index and spend less unprotected time outdoors.

McPeters, Richard↗

NASA NTRS2002

Evaluation of a Hybrid Elastic EVA Glove

The hybrid elastic design is based upon an American Society for Engineering Education (ASEE) glove designed by at the Space Systems Laboratory (SSL) in 1985. This design uses an elastic restraint layer instead of convolute joints to achieve greater dexterity and mobility during EVA (extravehicular activity). Two pilot studies and a main study were conducted using the hybrid elastic glove and 4000-series EMU (extravehicular activity unit) glove. Data on dexterity performance, joint range of motion, grip strength and perceived exertion was assessed for the EMU and hybrid elastic gloves with correlations to a barehanded condition. During this study, 30 test subjects performed multiple test sessions using a hybrid elastic glove and a 4000- series shuttle glove in a 4.3psid pressure environment. Test results to date indicate that the hybrid elastic glove performance is approximately similar to the performance of the 4000-series glove.

Korona, F. Adam↗

NASA NTRS2004

The Energy Spectra of Heavy Nuclei Measured by the ATIC Experiment

ATIC (Advanced Thin Ionization Calorimeter) is a balloon-borne experiment to measure the spectra and composition of primary cosmic rays in the region of total energy from 100 GeV to near 100 TeV for Z from 1 to 26. ATIC consists of a pixelated silicon matrix detector to measure charge plus a fully active BGO calorimeter, to measure energy, located below a carbon target interleaved with three layers of scintillator hodoscope. The ATIC instrument had a second (scientific) flight from McMurdo, Antarctica from 12/29/02 to 1/18/03, yielding 20 days of good data. The GEANT 3.21 Monte Carlo code with the QGSM event generator and the FLUKA code with the DPMJET-II event generator were used to convert energy deposition measurements to primary energy. We present the preliminary energy spectra for the abundant elements C, O, Ne, Mg, Si and Fe and compare them with the results of the first (test) flight of ATIC in 2000-01 and with results from the HEAO-3 and CRN experiments.

Panov, A. D.↗

NASA NTRS2006

Numerical Modeling of Flow Control in a Boundary-Layer-Ingesting Offset Inlet Diffuser at Transonic Mach Numbers

This paper will investigate the validation of the NASA developed, Reynolds-averaged Navier-Stokes (RANS) flow solver, OVERFLOW, for a boundary-layer-ingesting (BLI) offset (S-shaped) inlet in transonic flow with passive and active flow control devices as well as a baseline case. Numerical simulations are compared to wind tunnel results of a BLI inlet experiment conducted at the NASA Langley 0.3-Meter Transonic Cryogenic Tunnel. Comparisons of inlet flow distortion, pressure recovery, and inlet wall pressures are performed. The numerical simulations are compared to the BLI inlet data at a free-stream Mach number of 0.85 and a Reynolds number of approximately 2 million based on the fanface diameter. The numerical simulations with and without tunnel walls are performed, quantifying tunnel wall effects on the BLI inlet flow. A comparison is made between the numerical simulations and the BLI inlet experiment for the baseline and VG vane cases at various inlet mass flow rates. A comparison is also made to a BLI inlet jet configuration for varying actuator mass flow rates at a fixed inlet mass flow rate. Overall, the numerical simulations were able to predict the baseline circumferential flow distortion, DPCP avg, very well within the designed operating range of the BLI inlet. A comparison of the average total pressure recovery showed that the simulations were able to predict the trends but had a negative 0.01 offset when compared to the experimental levels. Numerical simulations of the baseline inlet flow also showed good agreement with the experimental inlet centerline surface pressures. The vane case showed that the CFD predicted the correct trends in the circumferential distortion levels for varying inlet mass flow but had a distortion level that was nearly twice as large as the experiment. Comparison to circumferential distortion measurements for a 15 deg clocked 40 probe rake indicated that the circumferential distortion levels are very sensitive to the symmetry of the flow and that a misalignment of the vanes in the experiment could have resulted in this difference. The numerical simulations of the BLI inlet with jets showed good agreement with the circumferential inlet distortion levels for a range of jet actuator mass flow ratios at a fixed inlet mass flow rate. The CFD simulations for the jet case also predicted an average total pressure recovery offset that was 0.01 lower than the experiment as was seen in the baseline. Comparisons of the flow features for the jet cases revealed that the CFD predicted a much larger vortex at the engine fan-face when compare to the experiment.

Allan, Brian G.↗

NASA NTRS2006

Numerical Modeling of Flow Control in a Boundary-Layer-Ingesting Offset Inlet Diffuser at Transonic Mach Numbers

This paper will investigate the validation of a NASA developed, Reynolds-averaged Navier-Stokes (RANS) flow solver, OVERFLOW, for a boundary-layer-ingesting (BLI) offset (S-shaped) inlet in transonic flow with passive and active flow control devices as well as the baseline case. Numerical simulations are compared to wind tunnel results of a BLI inlet conducted at the NASA Langley 0.3-Meter Transonic Cryogenic Tunnel. Comparisons of inlet flow distortion, pressure recovery, and inlet wall pressures are performed. The numerical simulations are compared to the BLI inlet data at a freestream Mach number of 0.85 and a Reynolds number of approximately 2 million based on the length of the fan-face diameter. The numerical simulations with and without wind tunnel walls are performed, quantifying effects of the tunnel walls on the BLI inlet flow measurements. The wind tunnel test evaluated several different combinations of jet locations and mass flow rates as well as a vortex generator (VG) vane case. The numerical simulations will be performed on a single jet configuration for varying actuator mass flow rates at a fix inlet mass flow condition. Validation of the numerical simulations for the VG vane case will also be performed for varying inlet mass flow rates. Overall, the numerical simulations were able to predict the baseline circumferential flow distortion, DPCPavg, very well for comparisons made within the designed operating range of the BLI inlet. However the CFD simulations did predict a total pressure recovery that was 0.01 lower than the experiment. Numerical simulations of the baseline inlet flow also showed good agreement with the experimental inlet centerline surface pressures. The vane case showed that the CFD predicted the correct trends in the circumferential distortion for varying inlet mass flow but had a distortion level that was nearly twice as large as the experiment. Comparison to circumferential distortion measurements for a 15 deg clocked 40 probe rake indicated that the circumferential distortion levels are very sensitive to the symmetry of the flow and that a miss alignment of the vanes in the experiment could have resulted in this difference. The numerical simulations of the BLI inlet with jets showed good agreement with the circumferential inlet distortion levels for a range of jet actuator mass flow ratios at a fixed inlet mass flow rate. The CFD simulations for the jet case also predicted an average total pressure recovery that was 0.01 lower than the experiment as was seen in the baseline. Comparison of the flow features the jet case revealed that the CFD predicted a much larger vortex at the engine fan-face when compare to the experiment.

Allan Brian G.↗