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All sourcesNASA NTRSDOE OSTI
DOE OSTI2026

CAPTAN+X Data Converter Integration

Fermi National Accelerator Laboratory's CAPTAN (Compact And Programmable daTa Acquisition Node) series provides a flexible hardware platform for data acquisition across a range of experiments and facilities. The latest iteration, CAPTAN+X, is built around a Kintex-7 FPGA supporting four FPGA Mezzanine Card (FMC) connections. As part of a broader laboratory effort to bring facility systems under a Model-Based Systems Engineering (MBSE) framework, CAPTAN+X is one of several systems slated to be incorporated into this modeling environment in the near term. A necessary step toward that goal is incorporating the platform's core functionality, which centers on integration with the LXD31K4 FMC, a data converter module combining dual AD9652 analog-to-digital converters and dual AD9142A digital-to-analog converters. Achieving compatibility required resolving pin-mapping conflicts between the LXD31K4's High Pin Count connector and the CAPTAN+X's available pin types, adapting a Board Support Project originally written for an UltraScale-class evaluation board to the Kintex-7 architecture, replacing incompatible primitives, restructuring clock distribution, and manually configuring chip initialization in place of an unsupported soft-processor-based approach. Functional verification of the ADC and DAC channels, followed by closed-loop testing combining both converters with real-time filtering, confirmed correct operation of the integrated system. These results establish a working hardware and firmware baseline for the CAPTAN+X platform, positioning it for future inclusion in the laboratory's growing MBSE modeling effort.

Espinoza, David [Illinois U., Urbana (main)]↗
DOE OSTI2019

Idaho-Developed Technologies, Processes Offer Unique Solutions to Waste Management Challenges - 19281

INL Site cleanup contractor Fluor Idaho, LLC (Fluor Idaho) and its predecessors have developed a host of state-of-the-art technologies and specialized processes for nuclear waste handling, treatment, storage, and shipping. The cleanup program has also repurposed and upgraded previously idled Cold War-era buildings to treat and repackage both on- and off-site generated radioactive and hazardous wastes. And lastly, Fluor Idaho is using one-of-a-kind equipment to protect waste management personnel as they undertake their work to meet cleanup commitments that the Department of Energy (DOE) made to the state of Idaho. Such applications, although developed for Idaho's wastes, have the potential to benefit other facilities within the DOE Complex. Engineers and fabricators have teamed up to develop truly unique devices made of specialized metals, like stainless steel alloys, and more readily available materials such as Lexan. All waste types that Fluor Idaho manages daily - spent nuclear fuel, both high- and low-level wastes, and both remote-handled (RH) and CH-TRU - benefit from these innovations. Without question, the greatest number of specialized equipment, processes, and worker-protection technologies developed are for the retrieving, characterizing, repackaging, and shipping of TRU wastes, which makes sense considering the INL Site stores the most TRU waste in the DOE Complex. On the CH-TRU retrieval front, crews are using specially modified Gradall excavators to protect workers while they exhume Rocky Flats Plant wastes that were sent to Idaho in the 1950's and 1960's and buried in a shallow landfill. The excavators are supplied with extra Lexan windows to protect operators from the potential for flying debris during exhumation. On-board supplied air, pumped into the cab, and individual air supplies protect workers from inhalation hazards. Also on-board infrared cameras allow operators to detect heat generating from reactive metals at the dig face. At the Advanced Mixed Waste Treatment Facility (AMWTP), Brokk robotic arm operators use a 'super clam' claw, designed and built at the INL Site, on the remotely operated heavy equipment to size-reduce waste boxes, drums, concrete, and metal containing TRU constituents. The super clam is so powerful and dexterous that operators can crush a 55-gallon drum into the size of a basketball, but also delicately turn the pages of a magazine. Boxes too large to be sized at the AMWTP's box-lines are sent to the Accelerated Retrieval Project VII facility to be sized by Waste Management personnel. Such waste boxes, which sometimes contain 'flighty' plutonium-238 material, have forced the project to employ a heavily ventilated and filtered interior tent. Not all technologies developed for the Waste Management program are high-technology; in fact, one piece of equipment is so simple it's literally ingenious. Operators who inspect and repackage RH-TRU inside a hot cell at the Idaho Nuclear Technology and Engineering Center (INTEC) needed a backup plan in case the hot cell port couldn't be closed in the event of a power outage. Engineers and fabricators collaborated to develop a port cover actuator mechanism, which allows operators to open and close the cell's hatch cover with nothing more than a cordless drill. Also at INTEC, Maintenance Shop fabricators developed a Lexan container or 'pig' suitable for shielding neutron-emitting TRU waste sources. Lexan was chosen as the preferred shielded container material for this special type of waste because neutrons are best shielded with materials containing lots of hydrogen, such as plastics, which are composed of carbon and hydrogen molecules. Once approved for shipment, the high-activity waste will be loaded into specialty casks and shipped to WIPP for permanent disposal. Although all these technologies and processes were initially developed for resolving challenges at the INL Site, their applications could be far-reaching. Like the INL Site, many other facilities in the DOE Complex manage, treat, store, and ship TRU, low-and high-level wastes, and spent nuclear fuel. The technologies and processes developed in Idaho protect Waste Management personnel as they undertake their work, but these benefits could be utilized by other facilities and personnel doing similar work. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2023

Accelerated Short Circuiting in Anode-Free Solid-State Batteries Driven by Local Lithium Depletion

“Anode-free” solid-state batteries (SSBs), which have no anode active material, can exhibit extremely high energy density (≈1500 Wh L -1 ). However, there is a lack of understanding of the lithium plating/stripping mechanisms at initially lithium-free solid-state electrolyte (SSE) interfaces because excess lithium metal is often used. Here, it is demonstrated that commercially relevant quantities of lithium (>5 mAh cm -2 ) can be reliably plated at moderate current densities (1 mA cm -2 ) using the sulfide SSE Li 6 PS 5 Cl. Investigations of lithium plating/stripping mechanisms, in conjunction with cryo-ocused ion beam (FIB) imaging, synchrotron tomography, and phase-field modeling, reveal that the cycling stability of these cells is fundamentally limited by the nonuniform presence of lithium during stripping. Local lithium depletion causes isolated lithium regions toward the end of stripping, decreasing electrochemically active area and resulting in high local current densities and void formation. This accelerates subsequent filament growth and short circuiting compared to lithium-excess cells. Despite this degradation mode, here it is shown that anode-free cells exhibit comparable Coulombic efficiency to lithium-excess cells, and improved resistance to short circuiting is achieved by avoiding local lithium depletion through retention of thicker lithium at the interface. These new insights provide a foundation for engineering future high-energy anode-free SSBs.

25 ENERGY STORAGE↗
DOE OSTI2022

Design optimization of integrated cooling inserts in modular Fischer-Tropsch reactors

Sustainable production of liquid fuels and feedstocks from atmospheric CO 2 through carbon recycling technologies is necessary to broaden decarbonization efforts and further reduce global emissions. Fischer–Tropsch (FT) reactors can address this challenge by providing storable, high-value liquid hydrocarbon fuels and feedstocks from syngas generated through reductive CO 2 utilization. FT technology, however, is most cost effective at large-scale, fixed-site plants and does not effectively address the smaller, globally distributed CO 2 point sources. Alternatively, smaller, modular reactors can be composed together to the specific scale of the emission source, yielding a flexible solution that enables more widespread deployment. In these modular reactors, thermal management using a finned cooling insert embedded within the catalyst matrix is critical to maintaining the performance and viability. Thus, in this work, topology optimization is used to determine the cooling insert geometry that maximizes reactor productivity while preventing auto-thermal runaway. Optimal designs are generated for varying number of constituent fins and over a range of maximum operating temperatures. Constraints including minimum feature length-scales and prescribed cooling insert material are imposed on the designs to enhance manufacturability. The impact of design features such as insert tapering and increased length scale hierarchy is automatically revealed by the systematic design framework employed. Here, this approach thus generates novel optimal geometries while automating, accelerating, and enhancing the design process compared to traditional heuristic approaches for cooling insert design in modular FT reactors.

30 DIRECT ENERGY CONVERSION↗
DOE OSTI2024

A First-Principles Approach to Modeling Surface Site Stabilities on Multimetallic Catalysts

The study of multimetallic alloys and the multitude of possible surface compositions have sparked a tremendous interest in engineering low-cost materials with high activity and selectivity in heterogeneous catalysis. Multimetallic systems provide complementary functionalities and an unprecedented tunability when designing catalyst formulations. However, due to their immense structural and compositional complexity, the investigation and identification of an optimal catalyst is a tedious and time-consuming process, both experimentally and theoretically. Therefore, theoretical design principles are highly desirable to accelerate the screening of catalyst structures across the vast compositional space. In this paper, we introduce a simple and general model for predicting the site stability of multimetallic surfaces and nanoparticles, which is based on physical principles. The model requires only a small set of density functional theory (DFT) calculations of metal atom binding energies on monometallic and dilute alloy surface slabs to optimize the parameters in the simple model. The resulting model allows for the quantification of the stability of any particular atom site in any conceivable chemical environment across a wide range of morphologies, sizes, and arrangements by interpolating the derived parameters from a monometallic system to a completely diluted alloyed system. Herein, we demonstrate the robustness of the model across an extensive data set of transition metal alloy surfaces and 147-atoms cuboctahedral nanoparticles (NPs) composed of IrRhRu and PtPdRu. In conclusion, our approach yields mean absolute errors of ≈0.15 (IrRhRu), 0.20 (PtPdRu), 0.19 (IrRhRu NP), and 0.26 (PtPdRu NP) eV relative to site binding energies calculated using DFT.

36 MATERIALS SCIENCE↗
DOE OSTI2018

Towards photocathodes with elongated lifetimes and high quantum efficiency by passivating with two dimensional materials

Photocathodes are key components of electron injectors for X-ray free electron laser and X-ray energy recovery linacs, which generate brilliant, ultrafast, and coherent X-rays for the exploration of matter with ultrahigh resolutions in both space and time. Whereas alkali-based semiconducting photocathodes display a higher quantum efficiency (QE) in the visible light spectrum than their metallic counterparts, their lifetimes are much shorter due to the high reactivity of alkali-based surfaces to the residual gases in the vacuum chamber. Overcoming the tradeoff between QE and lifetimes has been a great challenge in the accelerator community. Here in this paper, based on ab initio density functional calculations, we propose an approach to overcome this tradeoff by coating with atomically thin two-dimensional (2D) nanomaterials. On one hand, the 2D coating layers can enhance the lifetimes of photocathodes by preventing the chemical reactions with the residual gases. On the other hand, the 2D coating layers can effectively engineer the work function of photocathodes, thus controlling their QE. A monolayer of insulating BN reduces the work function, whereas a monolayer of semi-metallic graphene or semiconducting molybdenum disulfide (MoS 2 ) increases the work function. This phenomenon originates from the induced interfacial dipoles. The reduction of work function by BN implies that it is capable of maintaining the high QE of semiconducting photocathodes in addition to enhance their lifetimes. This study advances our understandings on the surface chemistry of coated photocathodes and opens new technological avenues to fabricate photocathodes with high QE and longer lifetimes.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Analysis of GPU Data Access Patterns on Complex Geometries for the D3Q19 Lattice Boltzmann Algorithm

GPU performance of the lattice Boltzmann method (LBM) depends heavily on memory access patterns. When implemented with GPUs on complex domains, typically, geometric data is accessed indirectly and lattice data is accessed lexicographically. Although there are a variety of other options, no study has examined the relative efficacy between them. Here, we examine a suite of memory access schemes via empirical testing and performance modeling. We find strong evidence that semi-direct is often better suited than the more common indirect addressing, providing increased computational speed and reducing memory consumption. For the layout, we find that the Collected Structure of Arrays (CSoA) and bundling layouts outperform the common Structure of Array layout; on V100 and P100 devices, CSoA consistently outperforms bundling, however the relationship is more complicated on K40 devices. When compared to state-of-the-art practices, our recommendations lead to speedups of 10–40 percent and reduce memory consumption up to 17 percent. Using performance modeling and computational experimentation, we determine the mechanisms behind the accelerations. We demonstrate that our results hold across multiple GPUs on two leadership class systems, and present the first near-optimal strong results for LBM with arterial geometries run on GPUs.

42 ENGINEERING↗
DOE OSTI2022

Module-Level Thermal Interface Material Degradation in HALT

Abstract In this study, thermal interface material (TIM) degradation is driven through highly accelerated life test (HALT) using temperature cycling with a prescribed vibrational acceleration for two commercially available materials having thermal conductivities of 6.0 and 8.5 W/m K. HALT specimens were prepared by applying TIM through a 4-mil stencil over AlSiC baseplates in the shape of those used in Wolfspeed CAS325M12HM2 power electronics modules. Baseplates were mounted onto aluminum carrier blocks with embedded thermocouples to characterize the thermal resistance across the baseplate and TIM layer. Thermal dissipation into the top of the baseplates was provided by a custom heating block, which mimics the size and placement of the die junctions in CAS325 modules, applying power loads of 200, 300, and 400 W. After initial characterization, samples were transferred to the HALT chamber with one set of samples exposed to temperature cycling only (TCO) and the other temperature cycling and vibration (TCV). Both sample sets were cycled between temperature extremes of −40 °C and 180 °C with vibrations applied at a peak acceleration of 3.21 Grms. After hundreds of cycles, samples were reevaluated to assess changes in thermal resistance to provide an accelerated measure of TIM degradation. This allows for reliability prediction of useful lifetime (illustrated in a solar inverter case study herein), as well as to provide a basis for developing an accelerated testing method to related temperature cycling to faster methods of degradation. Such techniques provide a means to develop maintenance schedules for power modules for ensuring sufficient thermal performance over the operating lifetime.

Engineering↗
DOE OSTI2024

Effect of Engineered Cracks in Catalyst Layers on PEMFC Catalyst Layer Durability

Proton exchange membrane fuel cells (PEMFCs) are expected to play a pivotal role in decarbonizing the transportation sector, and particularly heavy-duty vehicles (HDVs). However, improvements in durability are needed for PEMFCs to compete with state-of-the-art power sources for HDVs. Here, we examine how catalyst layer (CL) cracks that are engineered affect the CL durability by using patterned silicon templates to control the CL crack density at the micrometer scale. Electrochemical analyses show that the initial PEMFC performance is relatively unaffected by crack density, but the performance after durability testing was strongly affected. Specifically, CLs with high crack density showed higher performance relative to CLs without cracks after application of a carbon corrosion accelerated stress test. Electrochemical analyses coupled with X-ray computed tomography and scanning transmission electron microscopy with energy dispersive X-ray spectroscopy showed that the cracks provide shorter oxygen diffusion pathways to reaction sites, leading to decreased oxygen transport resistance. Additionally, we observed that the catalyst durability is unaffected by cracks. Our results provide a mechanistic explanation of the role of cracks in CL durability.

30 DIRECT ENERGY CONVERSION↗
DOE OSTI2023

NEML2 - THE NEW ENGINEERING MATERIAL MODEL LIBRARY, VERSION 2

SF-22-157 NEML2 is an extension of an earlier open source code developed at ANL (SF-xxxx) called NEML. These libraries provide tools for constructing and using models of engineering materials, with a focus on high temperature materials for nuclear reactor applications. The software include tools for setting up material models, calibrating models, storing models for later use in other simulations, and running simple "material point" simulations of the material behavior. The main difference between NEML and NEML2 is the new software has been complete restructured to run on GPUs and other accelerators in order to improve the performance of methods used to train constitutive models against data and to improve the performance of the final models in production environments, like finite element software. While over time we expect NEML2 to become more-or-less feature complete with NEML we are filing a new software disclosure because (1) the library has been complete restructured and (2) we want to host NEML2 in a separate repository.

MESSNER, MARK↗
DOE OSTI2017

Co-Optima Project E2.2.2: Accelerate Development of ACI/LTC Fuel Effects on RCCI Combustion

Many advanced combustion approaches have demonstrated potential for achieving diesel-like thermal efficiency but with much lower pollutant emissions of particulate matter (PM) and nitrogen oxides (NOx). RCCI is one advanced combustion concept, which makes use of in-cylinder blending of two fuels with differing reactivity for improved control of the combustion phasing and rate (Reitz et al., 2015). Previous research and development at ORNL has demonstrated successful implementation of RCCI on a light-duty multi-cylinder engine over a wide range of operating conditions (Curran et al., 2015). Several challenges were encountered when extending the research to practical applications, including limits to the operating range, both for high and low loads. Co-optimizing the engine and fuel aspects of the RCCI approach might allow these operating limits to be overcome. The in-cylinder mechanisms by which fuel properties interact with engine operating condition variables is not well understood, however, in part because RCCI is a new combustion concept that is still being developed, and limited data have been acquired to date, especially using in-cylinder optical/imaging diagnostics. The objective of this work is to use in-cylinder diagnostics in a heavy-duty single-cylinder optical engine at SNL to understand the interplay between fuel properties and engine hardware and operating conditions for RCCI in general, and in particular for the light-duty multi-cylinder all-metal RCCI engine experiments at ORNL.

02 PETROLEUM↗
DOE OSTI2020

CDFG Extraction Tool for LLVM

With the dawn of the exascale era, computer scientists and engineers are faced with tremendous challenges across all facets of the HPC system - scalability, performance, reliability, and power consumption. In particular, the power-performance benefit from one processor generation to the next is seeing ever-diminishing returns and will require fundamental changes in the way we approach computation. In fact, it is likely that different applications will require different types of accelerators in order to meet power, performance, and reliability requirements at scale. One potential type of accelerator, a dataflow architecture, diverges from the traditional sequentially executed instruction model into one that reflects the inherent instruction-level parallelism in a program. This work presents the initial steps toward a tool that can extract the control-dataflow graph from an application.

97 MATHEMATICS AND COMPUTING↗
NASA NTRS1984

Dilution jet experiments in compact combustor configurations

This project concerns the effects of cooling jets on the velocity and temperature fields in a compact reverse flow combustor. The work is motivated by the need to limit the temperatures of post combustion gases in jet engines to values within the endurance capabilities of turbine blades. The application requires not only that the temperature be kept sufficiently low but also that a suitably tailored temperature profile be provided at the combustor exit, with higher temperatures generally permissible at the blade tip than at the blade root because of higher centrifugal loads at the root. Flows in reverse flow combustor accelerate both longitudinally because of area changes and transversely because of flow turning. The current project started with flow visualization experiments in water, using aqueous solutions of zinc bromide to model the relatively higher density of cooling jets.

Greber, I.↗
NASA NTRS1992

Premixed shock-induced combustion studies in the hypulse facility

Engine performance calculations strongly suggest that the oblique detonation-wave engine can outperform the diffusive-burning scramjet engine in the high hypervelocity flight regime; i.e., at flight Mach numbers exceeding about 14. Research is described that examines and characterizes the behavior of oblique detonation waves (ODW). The effort is both computational and experimental, the latter utilizing the NASA Hypulse expansion tube. The experimental work is hampered by preignition of the hydrogen-oxygen-helium mixtures in either the intermediate or acceleration sections of the facility. The experiments are described and possible causes of this preignition are discussed. Initial results obtained from a parallel computation effort indicate that temporally steady ODW are achievable in the Hypulse facility.

Chinitz, W.↗
NASA NTRS1996

Variable-Speed Induction Motor Drives for Aircraft Environmental Control Compressors

New, more-efficient designs for aircraft jet engines are not capable of supplying the large quantities of bleed air necessary to provide pressurization and air conditioning for the environmental control systems (ECS) of the next generation of large passenger aircraft. System analysis and engineering have determined that electrically-driven ECS can help to maintain the improved fuel efficiencies; and electronic controllers and induction motors are now being developed in a NASA/NPD SBIR Program to drive both types of ECS compressors. Previous variable-speed induction motor/controller system developments and publications have primarily focused on field-oriented control, with large transient reserve power, for maximum acceleration and optimum response in actuator and robotics systems. The application area addressed herein is characterized by slowly-changing inputs and outputs, small reserve power capability for acceleration, and optimization for maximum efficiency. This paper therefore focuses on the differences between this case and the optimum response case, and shows the development of this new motor/controller approach. It starts with the creation of a new set of controller requirements. In response to those requirements, new control algorithms are being developed and implemented in an embedded computer, which is integrated into the motor controller closed loop. Buffered logic outputs are used to drive the power switches in a resonant-technology, power processor/motor-controller, at switching/resonant frequencies high enough to support efficient high-frequency induction motor operation at speeds up to 50,000-RPA

Mildice, J. W.↗
NASA NTRS2003

Simulation of Combustion Systems with Realistic g-jitter

In this project a transient, fully three-dimensional computer simulation code was developed to simulate the effects of realistic g-jitter on a number of combustion systems. The simulation code is capable of simulating flame spread on a solid and nonpremixed or premixed gaseous combustion in nonturbulent flow with simple combustion models. Simple combustion models were used to preserve computational efficiency since this is meant to be an engineering code. Also, the use of sophisticated turbulence models was not pursued (a simple Smagorinsky type model can be implemented if deemed appropriate) because if flow velocities are large enough for turbulence to develop in a reduced gravity combustion scenario it is unlikely that g-jitter disturbances (in NASA's reduced gravity facilities) will play an important role in the flame dynamics. Acceleration disturbances of realistic orientation, magnitude, and time dependence can be easily included in the simulation. The simulation algorithm was based on techniques used in an existing large eddy simulation code which has successfully simulated fire dynamics in complex domains. A series of simulations with measured and predicted acceleration disturbances on the International Space Station (ISS) are presented. The results of this series of simulations suggested a passive isolation system and appropriate scheduling of crew activity would provide a sufficiently "quiet" acceleration environment for spherical diffusion flames.

Mell, William E.↗
NASA NTRS2009

Recent Electric Propulsion Development Activities for NASA Science Missions

(The primary source of electric propulsion development throughout NASA is managed by the In-Space Propulsion Technology Project at the NASA Glenn Research Center for the Science Mission Directorate. The objective of the Electric Propulsion project area is to develop near-term electric propulsion technology to enhance or enable science missions while minimizing risk and cost to the end user. Major hardware tasks include developing NASA s Evolutionary Xenon Thruster (NEXT), developing a long-life High Voltage Hall Accelerator (HIVHAC), developing an advanced feed system, and developing cross-platform components. The objective of the NEXT task is to advance next generation ion propulsion technology readiness. The baseline NEXT system consists of a high-performance, 7-kW ion thruster; a high-efficiency, 7-kW power processor unit (PPU); a highly flexible advanced xenon propellant management system (PMS); a lightweight engine gimbal; and key elements of a digital control interface unit (DCIU) including software algorithms. This design approach was selected to provide future NASA science missions with the greatest value in mission performance benefit at a low total development cost. The objective of the HIVHAC task is to advance the Hall thruster technology readiness for science mission applications. The task seeks to increase specific impulse, throttle-ability and lifetime to make Hall propulsion systems applicable to deep space science missions. The primary application focus for the resulting Hall propulsion system would be cost-capped missions, such as competitively selected, Discovery-class missions. The objective of the advanced xenon feed system task is to demonstrate novel manufacturing techniques that will significantly reduce mass, volume, and footprint size of xenon feed systems over conventional feed systems. This task has focused on the development of a flow control module, which consists of a three-channel flow system based on a piezo-electrically actuated valve concept, as well as a pressure control module, which will regulate pressure from the propellant tank. Cross-platform component standardization and simplification are being investigated through the Standard Architecture task to reduce first user costs for implementing electric propulsion systems. Progress on current hardware development, recent test activities and future plans are discussed.

Pencil, Eric J.↗