Engineering Papers⌕ Search

SEARCH · Engineering Papers

Results for “process development”

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 649 records · Page 36
All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

Introduction, Investigation, and Experimental Validation of a Novel Passive Neutron Spectrometer

Unfolding neutron energy spectra are instrumental for determining personal health effects and calculating dose received. This area of study is heavily researched, and Lawrence Livermore National Laboratory (LLNL) is investigating a passive neutron spectrometer for the purpose of acquiring the information needed to determine personnel dose in the event of a criticality accident. A part of this investigation is presented in this article through the examination of four experimental detector responses (DRs). These four DRs were acquired in the presence of 252 Cf, AmBe, GODIVA, and National Ignition Facility (NIF) neutron sources. An algorithm developed at LLNL was used to unfold the neutron fluence from each of the four DRs, and subsequently, fluence-to-dose conversion factors provided by the American National Standards Institute were used to calculate dose. Additionally, a multistep unfolding process was developed and employed to calculate the effects of both direct (from the source) and indirect (from room return) neutrons. The average error when unfolding the direct DR was less than 8%. The dose from 252 Cf was predicted with only 8% error. The multistep approach allowed for the identification of the low-energy neutrons in the 252 Cf, AmBe, and NIF DRs.

Nuclear Criticality Safety Program (NCSP)↗
DOE OSTI2021

Management of the Three Mile Island, Unit 2, Accident Corium and Severely Damaged Fuel Debris

The Three Mile Island, Unit Two (TMI-2) pressurized water reactor core melted down in 1979 due to an untimely combination of maintenance problems that led to a loss of feedwater, followed by a series of operational misunderstandings and errors. The melted core recovery process required development of a wide array of tools. After approximately three years of water management and other cleanup actions, the first views of the core revealed a much higher degree of damage than previously expected. Approximately 62 metric tons of the core had melted, leaving only 42 of the 177 fuel assemblies standing with a majority of rods intact. The core to be recovered was composed of loose debris and a solidified mass of formerly molten fuel. Robotic tools that had been designed for the task were of limited effectiveness due to the range of material types and phases. Over a period of several years, the central melt was broken up, primarily by use of a core-boring drill originally designed to acquire samples through the depth of the debris field. The broken pieces were loaded into specially designed debris canisters by use of long-handled pick-and-place tools and suctioned into baffled knockout canisters using an airlift vacuum system. A remotely operable underwater plasma arc torch was developed for removal of the lower core support structure to be able to retrieve the fuel pieces and secondary melt that had accumulated on the bottom reactor vessel head. Canister design played a central role in defining the initial retrieval process and later affected transportation, interim wet and its current interim dry storage. Due to concerns about the potential for radiolysis of residual water in the debris and other canister material, the canisters were fitted with hydrogen recombiner catalyst units to prevent a buildup of flammable gas and potential pressurization. To confirm the effectiveness of the recombiners during shipping, eight dewatered canisters were kept sealed for up to 205 days with periodic sampling of the headspace gas. The highest hydrogen value (9 vol%) was observed in a canister held for 147 days while the longest stored canister resulted in a 5% hydrogen concentration. The oxygen concentration never exceeded 0.5 %, and the primary backfill was >80% argon, meaning there was no flammability risk. Radiolytic hydrogen was also observed in wet pool storage, where the vented canisters discharged a portion of the water backfill as a result of gas production. The 344 canisters (268 fuel debris, 62 filter, and 12 knockout type) were dewatered, loaded in groups of seven into a double barrier shipping cask, and transported to the U.S. Department of Energy site in Idaho for 10 years of pool storage.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2023

Design of an Integrated Solids Handling System to Maximize Syngas Process Reliability (Cooperative Research and Development Final Report)

The National Renewable Energy Laboratory (NREL), in partnership with Wonderful Renewable Energy (WRE) and Idaho National Laboratory (INL), plans to develop a general methodology for designing integrated biorefinery solids preprocessing, handling, and feeding systems based on the chemical, physical, and mechanical attributes of the starting biomass material. This attribute-driven approach will include detailed feedstock property measurements, iterative computational modeling, and bench-scale testing to design systems for preprocessing, handling, and reactor in-feed, up to and including the selection of the conversion reactor. The initial tests and system design will be conducted using waste material from almond and pistachio growing and production operations (shells, hulls, and wood), targeting the conversion of this material to syngas for electricity production. The methodology will then be generalized to other feedstocks. The purpose of this project is to design an integrated solids handling system to maximize the process reliability of converting almond and pistachio waste to electricity. The design methodology and workflow developed from this example will then be applied to the Feedstock Conversion Interface Consortium (FCIC) benchmark loblolly pine residues, thus demonstrating the robustness of the overall design approach and providing insight and guidance for future conversion systems. V-Grid Energy Systems was brought on as a subcontractor to provide gasifiers and labor to complete gasifier runs.

09 BIOMASS FUELS↗
DOE OSTI2020

Pilot testing of CO2 capture from a coal-fired power plant—Part 2: Results from 1-MWe pilot tests

Abstract Using a 1-MWe slipstream pilot plant, solid-sorbent-based post-combustion CO2 capture was tested at a coal-fired power plant. Results from pilot testing were used to develop a preliminary full-scale commercial design. The sorbent selected for pilot-scale evaluation during this project consisted of an ion-exchange resin that incorporated amines covalently bonded to the substrate. A unique temperature-swing-absorption (TSA) process was developed that incorporated a three-stage fluidized-bed adsorber integrated with a single-stage fluidized-bed regenerator. Overall, following start-up and commissioning challenges that are often associated with first-of-a-kind pilots, the pilot plant operated as designed and expected, with a few key exceptions. The two primary exceptions were associated with: (i) handling characteristics of the sorbent, which were sufficiently different at operating temperature than at ambient temperature when design specifications were established with lab-scale testing; and (ii) CO2 adsorption in the transport line between the regenerator and adsorber that preloaded the sorbent with CO2 prior to entering the adsorber. Results from the pilot programme demonstrate that solid-sorbent-based post-combustion capture can be utilized to achieve 90% CO2 capture from coal-fired power plants.

Sjostrom, Sharon↗
DOE OSTI2020

Repair and Resource Scheduling in Unbalanced Distribution Systems Using Neighborhood Search

—This paper proposes an optimization strategy to assist utility operators to recover power distribution systems after large outages. Specifically, a mixed-integer linear programming (MILP) model is developed for co-optimizing crews, resources, and network operations. The MILP model coordinates damage isolation, network reconfiguration, distributed generator re-dispatch, and crew/resource logistics. In addition, a framework for integrating different types of photovoltaic (PV) systems in the restoration process is developed. We consider two different types of crews, namely, line crews for damage repair and tree crews for obstacle removal. We also model the repair resource logistic constraints. Furthermore, a new algorithm is developed for solving the distribution system repair and restoration problem (DSRRP). The algorithm starts by solving DSRRP using an assignmentbased method, then a neighborhood search method is designed to iteratively improve the solution. The proposed method is validated on modified IEEE 123- and 8500-bus distribution test systems.

Outage management↗
DOE OSTI2024

A Three-in-One Hybrid Strategy for High-Performance Semiconducting Polymers Processed from Anisole

The development of semiconducting polymers with good processability in green solvents and competitive electrical performance is essential for realizing sustainable large-scale manufacturing and commercialization of organic electronics. A major obstacle is the processability-performance dichotomy that is dictated by the lack of ideal building blocks with balanced polarity, solubility, electronic structures, and molecular conformation. Herein, through the integration of donor, quinoid and acceptor units, an unprecedented building block, namely TQBT, is introduced for constructing a serial of conjugated polymers. The TQBT, distinct in non-symmetric structure and high dipole moment, imparts enhanced solubility in anisole—a green solvent—to the polymer TQBT-T. Furthermore, PTQBT-T possess a highly rigid and planar backbone owing to the nearly coplanar geometry and quinoidal nature of TQBT, resulting in strong aggregation in solution and localized aggregates in film. Remarkably, PTQBT-T films spuncast from anisole exhibit a hole mobility of 2.30 cm 2 V -1 s -1 , which is record high for green solvent-processable semiconducting polymers via spin-coating, together with commendable operational and storage stability. The hybrid building block emerges as a pioneering electroactive unit, shedding light on future design strategies in high-performance semiconducting polymers compatible with green processing and marking a significant stride towards ecofriendly organic electronics.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Sustainable Direct Recycling of Lithium-Ion Batteries via Solvent Recovery of Electrode Materials

Separation of electrode materials from their current collectors is an enabling step toward recovering critical materials from spent lithium-ion batteries. In this study, a highly efficient, cost-effective, and environmentally sustainable separation process was developed for that purpose. Ethylene glycol, a vital commodity chemical as an antifreeze and polymer precursor, is used to delaminate electrode materials at low temperatures in seconds without altering the crystalline structure and morphology of active electrode materials. The recovered current collectors were intact without any corrosion. The authors also found that the solvent could be continuously reused, leading to the development of a closed-loop ecosystem and lithium-ion battery circular economy. The ultrafast delamination was driven by the competitive inhibition of binding through the weakening of hydrogen bonding. The ethylene glycol-based separation is a sustainable electrode recovery process that paves the way for battery recycling.

25 ENERGY STORAGE↗
DOE OSTI2026

Opportunities and challenges in process modeling and simulation of electrochemical systems

Electrochemical technologies have garnered intense interest in both academic research and industrial applications due to their potential to increase energy efficiency and reduce carbon footprint. However, electrochemical process fundamentals have been absent from the chemical process simulators available to millions of chemical engineers worldwide. To expedite process research and development of electrochemical technologies in the chemical industry, it is imperative that essential electrochemical process fundamentals be incorporated into process simulators to support modeling and simulation of electrochemical processes. Here, this study examines three process fundamentals key to the research and development of electrochemical processes: electrochemical reaction kinetics, electrolyte thermodynamics, and heat and mass transfer. It further illustrates application of these process fundamentals with a case study modeling an electrochemical process for the conversion of acrylonitrile to adiponitrile. The modeling example highlights the roles of applied voltage on reaction rates, and electron flow rates on the performance of electrochemical processes. It suggests that the applied voltage and electron flow rates are two unique concepts that should be included in simulators for electrochemical processes.

09 BIOMASS FUELS↗
DOE OSTI2025

Scaled-up fabrication of durable and porous adsorbent-coated minichannels on aluminum for CO 2 separation

A method was developed to fabricate zeolite 13X adsorbent-coated minichannels on aluminum for CO₂ adsorption applications in this study. It emphasizes the innovative use of aluminum as a substrate, which offers airtight assembly, paving the way for highly efficient adsorption systems. An optimized coating process was developed using a slurry of Zeolite 13X, yeast, sugar, and xanthan gum, resulting in durable and highly porous layers that enhance CO₂ capture performance. A PETG peeler was designed to remove the top layer of the yeast-engineered adsorbent coatings, revealing a super porous and foamy structure. The teeth of the peeler were designed and fabricated for high repeatability and rapid prototyping. Breakthrough experiments were conducted on the scaled-up adsorbent bed using gas mixtures of 80% CO₂, 20% N₂, and 20% CO₂, 80% N₂ to represent different industrial scenarios. The performance of the bed was evaluated at flow rates of 160 and 190 cm³ min -1 using a Raman Laser Gas Analyzer (RLGA), demonstrating stable adsorption without degradation across multiple cycles. Computational modeling of integral transport phenomena under the chosen experimental conditions was pursued using gPROMS ProcessBuilder™, and the modeling results were compared with those from the tests for adsorption time, which resulted in an error margin of 2% to 9% for the breakthrough time, confirming the easy reproducibility of the design through modeling. This research advances CO₂ capture technologies by providing an effective and scalable solution for producing aluminum-based adsorbent coated beds, supporting industrial carbon capture efforts.

CO2 capture↗
DOE OSTI2022

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↗
DOE OSTI2023

Engineering Study of Svante’s Solid Sorbent Post-Combustion CO 2 Capture Technology at a Linde Steam Methane Reforming H 2 Plant

An initial engineering design study was performed for an advanced post combustion CO 2 capture (PCC) technology to be installed at a commercial-scale steam methane reforming (SMR) hydrogen plant located in the US Gulf Coast. The PCC process integrated the VeloxoTherm™ structured adsorbent technology from Svante for the CO 2 separation and CO 2 compression and purification and balance of plant systems provided by Linde. This pre-FEED equivalent study included following: (1) design basis, (2) basic engineering, including development of process flow diagrams and heat & material balances, (3) inside the battery limit (ISBL) equipment and systems specification, (4) balance of plant outside the battery limit (OSBL) equipment and systems specifications, (5) technology maturation plan, (6) hazard identification (HAZID) review, (7) environmental, health and safety (EH&S) assessment and environmental permitting analysis, (8) constructability review, (9) ISBL and OSBL EPC cost estimation, and (10) commercial-scale techno-economic analysis including capital expenditures (CAPEX) and operating expenditures (OPEX) and CO 2 capture cost estimates.

03 NATURAL GAS↗
DOE OSTI2020

Update on Development of a U.S. Rail Transport Capability for Spent Nuclear Fuel and High-Level Waste - 20466

This paper provides an overview of the progress to date, and discussion of the path forward, related to designing, fabricating and testing prototype railcars that will comply with the safety standard S-2043. This standard was developed by the Association of American Railroads (AAR) specifically for railcars used to transport High-Level Radioactive Material (HLRM). AAR defines the term HLRM to include both spent nuclear fuel (SNF) and high-level radioactive waste (HLW). DOE is in the process of developing and testing prototype railcars that will satisfy Standard S-2043. This is a technical paper that does not take into account contractual limitations or obligations under the Standard Contract for Disposal of Spent Nuclear Fuel and/or High-Level Radioactive Waste (Standard Contract) (10 CFR Part 961). For example, under the provisions of the Standard Contract, spent nuclear fuel in multi-assembly canisters is not an acceptable waste form, absent a mutually agreed to contract amendment. To the extent discussions or recommendations in this paper conflict with the provisions of the Standard Contract, the Standard Contract governs the obligations of the parties, and this paper in no manner supersedes, overrides, or amends the Standard Contract. This paper reflects technical work which could support future decision making by the Department of Energy (DOE or Department). No inferences should be drawn from this paper regarding future actions by DOE, which are limited both by the terms of the Standard Contract and a lack of Congressional appropriations for the Department to fulfill its obligations under the Nuclear Waste Policy Act including licensing and construction of a spent nuclear fuel repository. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2022

Understanding Proton Movement in [Fe-Fe] Hydrogenases

Nature uses specialized metalloenzymes to carry out small molecule activation reactions, including CO 2 fixation, O 2 activation, and proton reduction, with unparalleled efficiency, rates, and selectivity. The latter reactions are performed by hydrogenases, protein metallo-complexes that interconverts H 2 to protons and electrons (H 2 oxidation) and the reverse reaction (H 2 production) with incredibly low energy input and amazingly fast kinetics. Reproducing both the activity and efficiency of metalloenzymes in sustainable anthropogenic systems remains one of the “holy grails” of inorganic chemistry. However, identifying the precise molecular components responsible for these desirable properties has been challenging in the natural metalloenzymes, hindering efforts to develop analogous processes in synthetic compounds. Considering the inherent complexity of a metalloenzyme and the many interactions, both strong and weak, that contribute to the function of an enzyme, we have elected to model natural metalloenzymes on a biochemical platform. Towards this end, we have a developed structural, functional, and mechanistic mimic of the [Ni-Fe] hydrogenases within a robust protein scaffold, rubredoxin, to understand the influence of the secondary coordination environment on the metal center. This involved preparing a series of three rubredoxin constructs containing a single point mutation at Val positions and making the NMR chemical shift assignments for the paramagnetic (nickel-substituted) and non-paramagnetic (zinc-substituted) form. These physical studies were complemented with in silico molecular dynamic studies on proteins with [Fe-S] clusters to engineer new proton channels to test in vitro . To assist our search for new natural metalloprotein scaffolds within the vast number of sequenced genomes, we created a neural network-based program to identify proteins with specific metal-binding sites. These computational and physical studies with metalloenzymes provide direct insight into the fundamental chemical principles driving the natural systems and offer design principles for developing catalysts that utilize analogous principles.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2025

Developing A Custom-Built Metal Aerosol Processing Chamber: Analysis of Aerosol Coagulation at Low Humidities

We have developed an intermediate size (906 L) aerosol processing chamber, and this work reports on the design and initial characterization of dry aerosol experiments. Specifically, we are determining wall-loss and coagulation correction factors using the observed size distribution measurements for surrogates of common aerosol classes: sodium chloride, sucrose, and biomass burning aerosol smoke. Results show that, on average, sodium chloride, sucrose, and smoke wall-loss rates converge to similar values on relatively short time scales (< 1 h). The fitted coagulation correction factor, W C -1 , for smoke particles (1.23 ± 0.312), indicates that on average they adhere to each other more than sodium chloride (0.969 ± 0.524) and sucrose (1.16 ± 1.38). The relative uncertainty is high for the coagulation correction, but it is consistent with our Monte Carlo error analysis. This study lays the foundation for future experiments at elevated humidity and supersaturation conditions to characterize the influence of particle shape on coagulation and cloud parameters.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2025

Computationally efficient subglacial drainage modelling using Gaussian process emulators: GlaDS-GP v1.0

Subglacial drainage models represent water flow at the ice–bed interface through coupled distributed and channelized systems to determine water pressure, discharge, and drainage system geometry. While they are used to understand processes such as the relationship between surface melt and ice flow, the number of uncertain model parameters and the computational cost of running models makes it difficult to adequately explore the high-dimensional parameter space and evaluate uncertainty in model predictions. Here, we develop Gaussian process (GP) emulators that make fast predictions with associated uncertainty of subglacial drainage model outputs. Using a truncated principal component (PC) basis representation, we construct a GP emulator for diurnally averaged subglacial water pressure. We also explore emulation of scalar variables describing drainage efficiency and configuration. We train the emulators using ensembles of up to 512 simulations varying eight parameters of the Glacier Drainage System (GlaDS) model on a synthetic domain intended to represent an ice-sheet margin. The emulators make predictions ∼ 1000 times faster than GlaDS simulations, with errors <3 % for the water pressure field and ∼ 5 %–9 % for drainage efficiency and configuration. We apply the emulators to explore the eight-dimensional parameter space by computing variance-based parameter sensitivity indices, finding that three parameters (ice flow coefficient, bed bump aspect ratio, and the subglacial cavity system conductivity) explain 90 % of the variance in modelled water pressure in response to parameter changes. The GP emulator approach described here is well suited to integrating observational data with models to make calibrated, credible predictions of subglacial drainage.

58 GEOSCIENCES↗
DOE OSTI2023

Progressive and instantaneous nature of lithium nucleation discovered by dynamic and operando imaging

The understanding of lithium (Li) nucleation and growth is important to design better electrodes for high-performance batteries. However, the study of Li nucleation process is still limited because of the lack of imaging tools that can provide information of the entire dynamic process. We developed and used an operando reflection interference microscope (RIM) that enables real-time imaging and tracking the Li nucleation dynamics at a single nanoparticle level. This dynamic and operando imaging platform provides us with critical capabilities to continuously monitor and study the Li nucleation process. We find that the formation of initial Li nuclei is not at the exact same time point, and Li nucleation process shows the properties of both progressive and instantaneous nucleation. In addition, the RIM allows us to track the individual Li nucleus’s growth and extract spatially resolved overpotential map. The nonuniform overpotential map indicates that the localized electrochemical environments substantially influence the Li nucleation.

25 ENERGY STORAGE↗
DOE OSTI2023

A large expert-curated cryo-EM image dataset for machine learning protein particle picking

Cryo-electron microscopy (cryo-EM) is a powerful technique for determining the structures of biological macromolecular complexes. Picking single-protein particles from cryo-EM micrographs is a crucial step in reconstructing protein structures. However, the widely used template-based particle picking process is labor-intensive and time-consuming. Though machine learning and artificial intelligence (AI) based particle picking can potentially automate the process, its development is hindered by lack of large, high-quality labelled training data. To address this bottleneck, we present CryoPPP, a large, diverse, expert-curated cryo-EM image dataset for protein particle picking and analysis. It consists of labelled cryo-EM micrographs (images) of 34 representative protein datasets selected from the Electron Microscopy Public Image Archive (EMPIAR). The dataset is 2.6 terabytes and includes 9,893 high-resolution micrographs with labelled protein particle coordinates. The labelling process was rigorously validated through 2D particle class validation and 3D density map validation with the gold standard. The dataset is expected to greatly facilitate the development of both AI and classical methods for automated cryo-EM protein particle picking.

42 ENGINEERING↗
DOE OSTI2024

Successful cleanroom installation of PIP-II SSR2 coupler using robotic arm

To minimize the contamination of SRF cavities, remote installation techniques are needed during the installation of components. Recent work at Fermilab has been performed to begin the process of developing techniques for assembling cavities using robotics. Multiple alignment methods were prototyped including alignment and computer vision methods. Using a remotely controlled robotic arm, the alignment and installation of couplers have been successfully performed on prototype PIP-II SSR2 cavities in a cleanroom. The installation process will be shown to show to demonstrate the potential of future installations on other cavities and cavity ancillaries.

43 PARTICLE ACCELERATORS↗