Engineering Papers⌕ Search

SEARCH · Engineering Papers

Results for “Process Development and Demonstration”

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

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

At least 379 records · Page 21

Survey-wide asteroid discovery with a high-performance computing enabled non-linear digital tracking framework

Modern astronomical surveys detect asteroids by linking together their appearances across multiple images taken over time. This approach faces limitations in detecting faint asteroids and handling the computational complexity of trajectory linking. Here, we present a novel method that adapts “digital tracking” – traditionally used for short-term linear asteroid motion across images – to work with large-scale synoptic surveys such as the Vera Rubin Observatory Legacy Survey of Space and Time (Rubin/LSST). Our approach combines hundreds of sparse observations of individual asteroids across their non-linear orbital paths to enhance detection sensitivity by several magnitudes. To address the computational challenges of processing massive data sets and dense orbital phase spaces, we developed a specialized high-performance computing architecture. We demonstrate the effectiveness of our method through experiments that take advantage of the extensive computational resources at Lawrence Livermore National Laboratory. This work enables the detection of significantly fainter asteroids in existing and future survey data, potentially increasing the observable asteroid population by orders of magnitude across different orbital families, from near-Earth objects (NEOs) to Kuiper belt objects (KBOs).

Asteroid discovery↗

A deep learning model for automatic analysis of cavities in irradiated materials

Transmission electron microscopy (TEM) is a commonly used technique in materials science for defect investigation. Quantitative analysis of defects is important for understanding the properties of a material, but manual analysis of TEM micrographs can be time-consuming and prone to error, especially when the defects have irregular shapes rather than spherical shapes. Many existing methods or deep learning models do not handle a wide range of sizes for the same object type within a single image. In this work, we present a framework that enables users to train an instance segmentation model called Mask R- CNN on any microstructure dataset, perform multi-detection on the same image at different scales, and obtain properties (e.g., size, area) of the objects based on the desired shape (e.g., circle, ellipse, rectangle). Additionally, we have developed a parallel detection module that uses multiple GPUs to increase the efficiency of the object detection process. We demonstrate the capabilities of our framework using a set of TEM images of cavities with different shapes, size distributions, and background contrasts. Finally, we show that the performance of our model in terms of density, size, and swelling of the cavities is comparable to the human average and that our model achieves the highest recall value compared to existing methods due to the use of image multi-rescaling.

36 MATERIALS SCIENCE↗

Deep reinforcement learning for optimal control of induction welding process

Optimizing induction welding (IW) process parameters for the application of joining thermoplastic composites is challenging as it requires achieving complex spatiotemporal thermal characteristics along the weld-line to obtain desired weld quality. We formulate an optimal control problem which captures these requirements and seeks to optimize the IW coil speed using a fast-acting dynamic IW process model. We develop a novel Deep Reinforcement Learning (DRL) framework to solve this computationally challenging control problem and demonstrate via simulation study that the learned DRL feedback control policy results in better spatiotemporal thermal characteristics as compared to the current state-of-the-art.

36 MATERIALS SCIENCE↗

Fragment-based drug nanoaggregation reveals drivers of self-assembly

Drug nanoaggregates are particles that can deleteriously cause false positive results during drug screening efforts, but alternatively, they may be used to improve pharmacokinetics when developed for drug delivery purposes. The structural features of molecules that drive nanoaggregate formation remain elusive, however, and the prediction of intracellular aggregation and rational design of nanoaggregate-based carriers are still challenging. We investigate nanoaggregate self-assembly mechanisms using small molecule fragments to identify the critical molecular forces that contribute to self-assembly. We find that aromatic groups and hydrogen bond acceptors/donors are essential for nanoaggregate formation, suggesting that both π-π stacking and hydrogen bonding are drivers of nanoaggregation. We apply structure-assembly-relationship analysis to the drug sorafenib and discover that nanoaggregate formation can be predicted entirely using drug fragment substructures. We also find that drug nanoaggregates are stabilized in an amorphous core-shell structure. These findings demonstrate that rational design can address intracellular aggregation and pharmacologic/delivery challenges in conventional and fragment-based drug development processes.

77 NANOSCIENCE AND NANOTECHNOLOGY↗

Uncovering the active sites and demonstrating stable catalyst for the cost-effective conversion of ethanol to 1-butanol

We report the recent emergence of a robust renewable ethanol industry has provided a sustainable platform molecule toward the production of value-added chemicals and fuels; what is lacking now are viable conversion processes from ethanol that can displace the current production pathways from non-renewable pathways. Here in the work, we demonstrate the highly selective conversion of ethanol to higher alcohols over low copper loaded MgAl mixed oxide catalysts, with 50% improvement in higher alcohol yields over the current state of the art. At these copper concentrations, atomically dispersed Cu +1 were found to be stable even at highly reductive conditions and highly active towards higher alcohol products (e.g. butanol, hexanol) while suppressing side reaction pathways and leading to extended lifetimes of over 150 hours time on stream. Technoeconomic analysis conducted based on these experimental results demonstrate that this catalytic system is cost-competitive with the conventional process. This marks significant progress in the development of Guerbet coupling of ethanol as a viable renewable process and offers a pathway toward sustainable chemical and fuel production.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

A Harmonics Interferometric Doppler Sensor With a Neon Lamp Detector

A cost-effective harmonic interferometric Doppler sensor has been developed to obtain both amplitude and phase of the micro-Doppler signatures of moving objects. A phase chopper is used to generate the harmonics of the interferometry signal. For cost-effectiveness, a Gunn diode source is used for signal generation and a neon lamp is employed as a broadband detector. An advanced signal processing algorithm has been developed to extract both amplitude and phase Doppler signatures. A prototype has been built to demonstrate the effectiveness of the harmonic interferometric Doppler sensor at 35 GHz, with Doppler objects such as human hand and metal objects. In addition, the broadband detection capability of the neon lamp allows the Doppler sensor to work up to the millimeter-wave regime and potentially beyond the terahertz (THz) wave regime. Due to the ruggedness of the neon lamp detector, it is expected that the Doppler sensor has important applications of sensing and wireless communication in harsh environment such as high-temperature, high-power and radioactive conditions.

Doppler sensor↗

Grid Forming Inverter: Laboratory-Scale Hardware Test Bed Setup and Weak Grid Operation

In recent times, the concept of grid forming inverters has gained popularity. Grid forming inverters have proven to be a promising alternative to the grid following inverters. In this paper, we present the hardware test bed implementation of grid forming inverter in islanding mode as well as in grid connected mode. The control structure includes inverter-level inner current control and outer voltage control, and plant-level P - f and Q - V droop control. The Q - V droop provides the voltage command, whereas P - f droop provides the frequency command and is also key for the synchronization process. While it is straightforward to set up the test bed for the islanded operation, it is a challenging process to set up the grid-forming inverter in the grid-connected mode. We present the key technologies and demonstrate the start-up process and weak grid operation using the hardware experiment results. Results from EMT model developed in MATLAB/SimPowerSystems are also presented for side-by-side comparison.

Mittal, Ratik↗

Godiva Experiments for the Nuclear Criticality Safety Program (NCSP)

Godiva IV is a fast burst critical assembly constructed of approximately 65 kg of highly enriched uranium (HEU) fuel alloyed with 1.5 percent molybdenum for strength. Godiva is one of the last such critical assemblies in the United States, and can be used for studies of super-prompt critical behavior as well as irradiations and demonstrations. A demonstration of a Godiva burst is usually performed as a highlight of the hands-on portion of the Criticality Safety Training Classes taught at the National Criticality Experiment Research Center (NCERC). The Godiva burst is used to demonstrate the concept of super-prompt critical and the time-scale of a criticality accident. In addition, several NCSP projects have been conducted on Godiva IV over the past two years. One experiment focused on collecting data to support multiphysics simulations using Photo-Doppler Velocimetry (PDV) to measure surface movement and gamma detectors to measure the burst output as the burst develops from background to peak over ten orders of magnitude. Another experiment was performed to demonstrate the functionality of the Criticality Accident Alarm System (CAAS) system developed for installation in the Y-12 Uranium Processing Facility (UPF). The system must not only respond to a criticality event and alarm, but must also be shown to operate in a high dose environment.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

High-Performance, Hybrid Polymer Membrane for Carbon Dioxide Separation from Ambient Air

The Department of Energy (DOE) seeks to develop carbon capture materials specifically tailored for Direct Air Capture (DAC) processes. Related to this, they require recipients to develop novel DAC materials such as: solvents, membranes, or sorbents that demonstrate high affinities or capacities for carbon dioxide (CO2) at concentrations typically available in air and at near ambient conditions. Toward this, InnoSense LLC (ISL) is developing High-Performance, Hybrid Polymer Membranes (HypoMemTM) for Carbon Dioxide Separation from Ambient Air. HypoMem consists of two major layers. The first layer is the active layer which contains the active ingredients that help to separate CO2 from ambient air. The second is the support layer that provides good mechanical support to have a free-standing membrane without interfering with the properties of the active layer.

20 FOSSIL-FUELED POWER PLANTS↗

Simple and Scalable Process for Nanocellulose Production from Residues and Waste (CRADA Final Report)

This project successfully developed an innovative, cost-effective, and scalable method for converting low-cost agricultural waste feedstocks into nanocellulose—a sustainable material with wide-ranging industrial applications. It addressed the critical challenges of high production costs and limited global supply, which have hindered the widespread adoption of nanocellulose in industry. Through this work, significant advancements were made in optimizing resource use, improving process efficiency, and reducing costs. Notable achievements included a 50% reduction in water usage, 30% lower chemical consumption, and 20% energy savings, all while maintaining high-quality product standards. The technical feasibility of the process was further validated at a 10L scale in collaboration with the Advanced Biofuels and Bioproducts Development Unit (ABPDU), demonstrating scalability and replicability. Key challenges in reducing nanocellulose production costs were addressed by utilizing low-cost biomass feedstocks and implementing low-temperature conversion reactions, leading to lower capital and operating expenses. The project also mitigated financial risk by generating critical data on the feasibility, adaptability, and scalability of the conversion technology, paving the way for its commercial implementation. Public benefits include advancing the circular bioeconomy, reducing environmental impact, fostering job creation, and enabling a shift toward biobased materials as sustainable alternatives to fossil-based products. These outcomes align closely with national goals to reduce greenhouse gas emissions and promote sustainable technological innovation.

09 BIOMASS FUELS↗

Novel Zwitterionic Chromatography to Separate Lithium from Unconventional Resources

Since lithium (Li) is a key element for clean energy technologies, the global lithium demand is anticipated to increase rapidly. As a result, efficient lithium extraction technologies that allow the exploitation of unconventional lithium resources, such as geothermal brines and inland brine streams, are essentially needed to meet the Li demand and keep supply chains stable. However, because of low Li concentration, low ratio of Li/Mg or Li/Ca, and complex feed compositions in these feedstocks, using conventional hydrometallurgy or current Direct Lithium Extraction (DLE) processes are often chemical-intensive, requiring substantial amounts of reagent chemicals to recover Li at scale, resulting in large chemical footprints. Therefore, we developed a novel Zwitterionic Chromatography (ZIC) process to separate Li from these resources. Because Li can be partitioned from divalent salts on ZIC under water elution without using chemicals, exploiting the unconventional resources via a ZIC approach can be environmentally benign and sustainable. In this work, we will present the development of the ZIC process for DLE applications. Simulation studies for the Li separation mechanism in ZIC and the demonstration of a continuous ZIC process to separate Li from domestic inland brine and mining wastewater will be presented. Finally, the chemical and energy footprints of ZIC in comparison to other DLE processes will be discussed.

09 BIOMASS FUELS↗

Advanced Drying Cycle Simulator Thermal Response to Commercial Drying Conditions

The purpose of this report is to document updates on testing of the apparatus built to simulate commercial drying procedures for spent nuclear fuel at the Nuclear Energy Work Complex at Sandia National Laboratories. Validation of the extent of water removal in a dry spent nuclear fuel storage system based on drying procedures used at nuclear power plants is needed to close existing technical gaps. Operational conditions leading to incomplete drying may have potential impacts on the fuel, cladding, and other components in the system during subsequent storage and disposal. A general lack of data suitable for model validation of commercial nuclear canister drying processes necessitates well-designed investigations of drying process efficacy and water retention that incorporate relevant physics and well-controlled boundary conditions. This report documents testing updates for the Advanced Drying Cycle Simulator (ADCS). This apparatus was built to simulate commercial drying procedures and quantify the amount of residual water remaining in a pressurized water reactor (PWR) fuel assembly after drying. The ADCS was constructed with a prototypic 17×17 PWR fuel skeleton and waterproof heater rods to simulate decay heat. These waterproof heaters are the next generation design to heater rods developed and tested at Sandia National Laboratories in FY20. This report describes preliminary testing of the ADCS through measurement and analysis of the thermal response of the system to a subset of commercial drying conditions that exclude the introduction of water, namely simulated decay heats and pressures relevant to commercial drying. This test series, referred to as a “dry” test series in this report, spans three uniform waterproof heater rod powers (representing spent fuel decay heats), four helium fill pressures, and six vacuum levels. This test series was conducted to cover the range of expected ADCS testing conditions for upcoming “wet” testing, where water will be introduced and a simulated commercial drying cycle will be performed. The dry test conditions were derived from the commercial drying conditions seen in the High Burnup Demonstration and the vacuum drying conditions chosen for a smaller scale Dashpot Drying Apparatus tested at Sandia National Laboratories in FY22. For a given uniform power and pressure/vacuum level, the ADCS was operated at constant power and pressure and allowed to reach steady state conditions. The thermal data obtained from these tests were analyzed, and the results can inform computational models built to simulate commercial drying processes by providing baseline thermal data prior to the introduction of water. Following the preliminary dry tests, a test plan for the ADCS will be developed to implement a drying procedure that begins with the introduction of water to the system and is based on measurements from the drying process used for the High Burnup Demonstration Project. While applying power to the simulated fuel rods, this procedure is expected to consist of filling the ADCS vessel with water, draining the water with applied pressure and multiple helium blowdowns, evacuating additional water with a vacuum drying sequence at successively lower pressures, and backfilling the vessel with helium. Additional investigations are expected to feature failed fuel rod simulators with engineered cladding defects and guide tubes with obstructed dashpots to challenge the drying system with multiple water retention sites. The data from these investigations is expected to inform the efficacy of commercial drying operations through the quantification of residual water in a prototypic-length dry storage canister.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

The Cryosphere/Ocean Distributed Acoustic Sensing (CODAS) Experiment

Distributed acoustic sensing (DAS) has a demonstrated potential for wide-scale and continuous in situ monitoring of near-surface environmental and anthropogenic processes. DAS is attractive for development as a multi-geophysical observatory due to the prevalence of existing fiber infrastructure in regions with environmental, cultural, or strategic significance. To evaluate the efficacy of this technology for monitoring of polar environmental processes, we collected DAS data from a 37-km long section of seafloor telecommunications fiber located on the continental shelf of the Beaufort Sea, Alaska. This experiment spanned eight, one-week, seasonally-distributed periods across two years. This was the first ever deployment of seafloor DAS beneath sea ice, and the first deployment in any marine environment to span multiple seasons. We recorded a variety of environmental and anthropogenic signals with demonstrable utility for the study of sea ice dynamics and tracking of ocean vessels and ice-traversing vehicles.

54 ENVIRONMENTAL SCIENCES↗

Proton Nuclear Magnetic Resonance (H NMR) of Glycolate in Real Waste: Developing and Testing Analytical Methods for the Savannah River Site Liquid Waste System

In preparation for implementing the NG acid flowsheet for the SRS LWS, analytical methods for determining glycolate at low concentration are desired to support system management and safety. Previous work documented that the IC method performed well for samples with low to moderate ionic strength. That work also included a scoping effort to determine if an alternate analytical strategy using H NMR would complement and extend the capabilities of the IC method. The H NMR scoping results indicated that the method had the potential to expand glycolate analysis in LWS samples to higher ionic strength tanks/solutions. The scope of this work is to develop innovative proton NMR techniques, including demonstrating ion exchange decontamination protocols needed for application of the technique to real waste samples. Part of radioactive waste processing at SRS uses formic acid to reduce oxidized (Hg 2+ ) to more volatile elemental Hg for steam striping, collecting, and disposal. Under acidic conditions found in the Chemical Processing Cell (CPC) at the Defense Waste Processing Facility (DWPF), formic acid has a much higher hydrogen generation rate than an alternative reductant, glycolic acid. Thus, an NG acid flowsheet has been developed utilizing glycolic acid with the benefit of easing the need for headspace monitoring requirements for hydrogen and ammonia at DWPF. Low concentrations of glycolate are conservatively assumed to be in the recycle stream, which will collect in the Recycle Collection Tank (RCT). The DWPF recycle stream collected in the RCT has a distinct pathway to the LWS waste tanks that feed the 2H and 3H Evaporator. This route involves transfer of the DWPF recycle to Tank 22 in the Concentration, Storage, and Transfer Facilities (CSTF) followed by transfer to the LWS tank farm/evaporators.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

Development of HPC based phase field simulations tool for modification of alloy morphology to enhance material properties during additive manufacturing (AM) process

Currently, additive manufacturing (AM) technology is extensively used to manufacture aerospace components because of the unique advantages of the technique in producing custom designs, complex geometries in a near-net fashion that significantly reduces the manufacturing cost, and improved energy efficiency. However, the thermodynamic properties of existing aerospace alloys and the thermal conditions that prevail in most of the powder-bed based additive manufacturing processes lead to undesirable columnar / columnar-dendritic microstructures that promote solidification cracking during the process, and the development of anisotropy in the mechanical properties of the as-built components. Time consuming, energy-intensive post AM treatments are required to recover the mechanical properties of the wrought components for which the existing alloy compositions were designed for. However, novel alloy compositions, that exploit the AM thermal conditions to produce fine, equiaxed grain structures in the as-built condition, with mechanical properties equal to or exceeding those of the wrought work-horse alloy, Ti-6Al-4V has recently been demonstrated in Ti-Cu alloys. Significant energy savings up to 66% can be obtained for a typical aerospace component through digitally designing the AM process, process parameters, and alloy composition. The current project focused on developing a fundamental understanding of the evolution of the columnar to equiaxed transition (CET) occurring during solidification under AM thermal conditions in Ti-Cu and Ti-Cu-X alloys using high-fidelity phase field (PF) simulations using the leadership class computing facilities that exist in the national laboratories. The simulations were able to capture the effect of alloy and process conditions on CET, and clearly showed the beneficial effect of a ternary solute addition to Ti-Cu binary alloys on CET. The simulations indicated that bulk nucleation in the liquid ahead of the solidifying epitaxial front was promoted by a large, transient, thermal undercooling promoted by the mismatch between the growth rate of the dendrite tips in the epitaxial front and the imposed solidification rate. AM experiments performed at Raytheon Technologies Research Center using the same thermal conditions used in the PF simulations indicated the formation of equiaxed grains, although the grain size was bigger than the ones reported in the literature. On the other hand, the equiaxed grain size predicted by PF simulations were smaller than the grain size of Ti-Cu alloys reported in the literature. The industry will follow up the existing work in a future program that would involve further optimization of the process for the Ti-Cu-X alloys to demonstrate the application of the process and the alloy to a specific aerospace component.

36 MATERIALS SCIENCE↗

Predicting multi-nodal in-nozzle particle interactions in high-viscosity fluid mediums for acoustophoretic direct-ink writing of line-patterned composites

Patterned functional materials offer improved properties (electrical, thermal, etc.) over their bulk counterparts in many applications, including energy storage, flexible electronics, and sensors. However, manufacturing approaches for patterning materials over large areas with features on the order of hundreds of microns or less are limited. Acoustophoresis, which uses acoustic forces to control particle arrangement in a fluid medium, is a pathway to address this challenge. This process is dependent on particle and fluid properties and enables patterning of a broad range of materials. Herein, a model with experimental validation is presented to demonstrate that acoustophoresis can be combined with direct-ink writing (DIW) to fabricate line patterns over large cm-scale areas. An in-nozzle particle interaction model was developed to investigate the impact of processing conditions on multi-nodal acoustophoretic DIW. The model predicts patterned line widths within a factor of two relative to experimental results for a high viscosity case study. Here, the model was used to investigate the impact of frequency, particle loading, particle radius, and acoustic pressure on line width and patterning time, providing critical feedback regarding the processing conditions suitable for a target application. Model results illustrate that frequency has the greatest impact on line patterns: increasing from 1 to 3 MHz resulted in a greater than 65% reduction in line width and a greater than 85% reduction in patterning time. Additionally, experiments were conducted with an alumina-epoxy ink and a ~21 cm 2 area pattern was rastered in ~5.5 minutes, demonstrating a path towards large-area line-patterned composite fabrication.

25 ENERGY STORAGE↗

Compressed basis GMRES on high-performance graphics processing units

Krylov methods provide a fast and highly parallel numerical tool for the iterative solution of many large-scale sparse linear systems. To a large extent, the performance of practical realizations of these methods is constrained by the communication bandwidth in current computer architectures, motivating the investigation of sophisticated techniques to avoid, reduce, and/or hide the message-passing costs (in distributed platforms) and the memory accesses (in all architectures). This article leverages Ginkgo’s memory accessor in order to integrate a communication-reduction strategy into the (Krylov) GMRES solver that decouples the storage format (i.e., the data representation in memory) of the orthogonal basis from the arithmetic precision that is employed during the operations with that basis. Given that the execution time of the GMRES solver is largely determined by the memory accesses, the cost of the datatype transforms can be mostly hidden, resulting in the acceleration of the iterative step via a decrease in the volume of bits being retrieved from memory. Together with the special properties of the orthonormal basis (whose elements are all bounded by 1), this paves the road toward the aggressive customization of the storage format, which includes some floating-point as well as fixed-point formats with mild impact on the convergence of the iterative process. We develop a high-performance implementation of the “compressed basis GMRES” solver in the Ginkgo sparse linear algebra library using a large set of test problems from the SuiteSparse Matrix Collection. We demonstrate robustness and performance advantages on a modern NVIDIA V100 graphics processing unit (GPU) of up to 50% over the standard GMRES solver that stores all data in IEEE double-precision.

97 MATHEMATICS AND COMPUTING↗

Thermodynamic Limits of Redox-Based Thermochemical Processes (REDOTHERM)

Solar thermochemical fuel production is a potential pathway for the production of sustain liquid drop-in fuels, which can help decarbonize the aviation and maritime sectors. In an attempt to analyze the commercial viability of this technology, several studies have been conducted, including system and technoeconomic analysis (TEA) modeling. However, most studies to date simply assume a given redox reactor efficiency, which is significantly higher than demonstrated values to date. While it is widely recognized that utilizing a counter-current flow (CF) configuration could increase the redox reactor efficiency, an over-simplification in the thermodynamic modeling may lead to unphysical results which has been included in multiple publications. The fact that the solar redox reactor is the least developed component in the process chain makes it hard to identify technology gaps and evaluate pathways to deployment at scale using this approach. In this work, a thermodynamic model for a moving oxide system has been developed, in a general form that allows to analyze the system for different redox-active materials, under a wide range of operating conditions, for both parallel and countercurrent flows. The model capabilites are demonstrated, and the model's code will be shared as an open-source on GitHub in the next few months.

chemical looping↗