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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.

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At least 1,081 records · Page 60
All sourcesNASA NTRSDOE OSTI
DOE OSTI2017

A structural map of oncomiR-1 at single-nucleotide resolution

The miR-17–92a cluster, also known as ‘oncomiR-1’, is an RNA transcript that plays a pivotal regulatory role in cellular processes, including the cell cycle, proliferation and apoptosis. Its dysregulation underlies the development of several cancers. Oncomir-1 comprises six constituent miRNAs, each processed with different efficiencies as a function of both developmental time and tissue type. The structural mechanisms that regulate such differential processing are unknown, and this has impeded our understanding of the dysregulation of oncomiR-1 in pathophysiology. By probing the sensitivity of each nucleotide in oncomiR-1 to reactive small molecules, we present a secondary structural map of this RNA at single-nucleotide resolution. The secondary structure and solvent accessible regions of oncomiR-1 reveal that most of its primary microRNA domains are suboptimal substrates for Drosha-DGCR8, and therefore resistant to microprocessing. The structure indicates that the binding of trans-acting factors is required to remodel the tertiary organization and unmask cryptic primary microRNA domains to facilitate their processing into pre-microRNAs.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2025

Machine Learning-Based Process Control for Injection Molding of Recycled Polypropylene

The increased interest in artificial intelligence in manufacturing has driven the adoption of machine learning to optimize processes and improve efficiency. A key challenge in injection molding is the variability of recycled materials, which affects part quality and processing stability. This study presents a novel closed-loop process control approach for injection molding, leveraging machine learning to adaptively predict processing inputs and quality outcomes. The methodology was tested on five blends of recycled polypropylene (rPP), using artificial neural networks (ANNs), linear regression, and polynomial regression to model the relationships between material properties and process parameters. The dataset was split 80/20 into training and testing sets. The ANN model was implemented using TensorFlow and Keras, with six hidden layers of 32 neurons per layer, ReLU activation, and an Adam optimizer. Empirical tuning and early stopping were used to optimize performance and prevent overfitting. Predictions were evaluated based on mean absolute error (MAE), mean squared error (MSE), and percentage error. The results showed that yield stress, ultimate elongation, and part weight were accurately predicted within a 5% error for linear and polynomial regression models and within a 10% error for the ANN. However, modulus predictions were less reliable, with errors of ~11% for ANN and linear regression and ~40% for polynomial regression, reflecting the inherent variability of this property in rPP blends. Predictions of processing inputs had errors ranging from 3% to 25%, depending on the model and response variable. No single modeling approach was consistently superior across all responses, highlighting the complexity of the relationship between material properties, process parameters, and quality metrics. Overall, the work demonstrates that closed-loop process control, powered by machine learning, can effectively predict key quality parameters in injection molding of recycled materials. The proposed approach can improve process stability and material utilization, facilitating increased adoption of sustainable materials.

Krantz, Joshua↗
DOE OSTI2025

A comparison of plastic and visco-plastic constitutive models for accurate predictions in PM-HIP

Powder metallurgy hot isostatic pressing (PM-HIP) is an advanced manufacturing process that can efficiently produce near net shape parts with high material utilization and uniform microstructures. While the PM-HIP process is used frequently to produce small-scale components, its application to large-scale components is still limited due to inadequate understanding of its complex processes that cause unpredictable post-HIP shape distortions. A computational model can be a cost-effective alternative to exhaustive experimentation required to understand the PM-HIP process fully. Therefore, we present a comparison of plastic and visco-plastic models that are frequently used to model the PM-HIP process. We show that the predictions of powder densification behavior and shape distortions obtained from both the models are similar under most conditions and agree well with experimental observations.

Sarkar, Subrato [ORNL]↗
DOE OSTI2014

Innovative Elution Processes for Recovering Uranium from Seawater

Utilizing amidoxime-based polymer sorbents for extraction of uranium from seawater has attracted considerable interest in recent years. Uranium collected in the sorbent is recovered typically by elution with an acid. One drawback of acid elution is deterioration of the sorbent which is a significant factor that limits the economic competitiveness of the amidoxime-based sorbent systems for sequestering uranium from seawater. Developing innovative elution processes to improve efficiency and to minimize loss of sorbent capacity become essential in order to make this technology economically feasible for large-scale industrial applications. This project has evaluated several elution processes including acid elution, carbonate elution, and supercritical fluid elution for recovering uranium from amidoxime-based polymer sorbents. The elution efficiency, durability and sorbent regeneration for repeated uranium adsorption- desorption cycles in simulated seawater have been studied. Spectroscopic techniques are used to evaluate chemical nature of the sorbent before and after elution. A sodium carbonate-hydrogen peroxide elution process for effective removal of uranium from amidoxime-based sorbent is developed. The cause of this sodium carbonate and hydrogen peroxide synergistic leaching of uranium from amidoxime-based sorbent is attributed to the formation of an extremely stable uranyl peroxo-carbonato complex. The efficiency of uranium elution by the carbonate-hydrogen peroxide method is comparable to that of the hydrochloric acid elution but damage to the sorbent material is much less for the former. The carbonate- hydrogen peroxide elution also does not need any elaborate step to regenerate the sorbent as those required for hydrochloric acid leaching. Several CO2-soluble ligands have been tested for extraction of uranium from the sorbent in supercritical fluid carbon dioxide. A mixture of hexafluoroacetylacetone and tri-n-butylphosphate shows the best result but uranium removal from the sorbent reaches only 80% after 10 hours of leaching. Some information regarding coordination of vanadium with amidoxime molecules and elution of vanadium from amidoxime- based sorbents is also given in the report.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2020

High-Throughput Analysis of Materials for Chemical Looping Processes

Chemical looping is a promising approach for improving the energy efficiency of many industrial chemical processes. However, a major limitation of modern chemical looping technologies is the lack of suitable active materials to mediate the involved subreactions. Identification of suitable materials has been historically limited by the scarcity of high-temperature (>600 °C) thermochemical data to evaluate candidate materials. An accuratethermodynamic approach is demonstrated here to rapidly identify active materials which is applicable to a wide variety of chemical looping chemistries. Application of this analysis to chemical looping combustion correctly classifies 17/17 experimentally studied redox materials by their viability and identifies over 1300 promising yet previously unstudied active materials. This approach is further demonstrated by analyzing redox pairs for mediating a novel chemical looping process for producing pure SO2 from raw sulfur and air which could provide a more efficient and lower emission route to sulfuric acid. 12 promising redox materials for this process are identified, two of which are supported by previous experimental studies of their individual oxidation and reduction reactions. This approach provides the necessary foundation for connecting process design with high-throughput material discovery to accelerate the innovation and development of a wide range of chemical looping technologies.

chemical looping↗
DOE OSTI2016

A superstructure representation, generation, and modeling framework for chemical process synthesis

We present a framework for the efficient representation, generation, and modeling of superstructures for process synthesis. First, we develop a new representation based on three basic elements: units, ports, and conditioning streams. Second, we present four rules based on “minimal” and “feasible” component sets for the generation of simple superstructures containing all feasible embedded processes. Third, in terms of modeling, we develop a modular approach, and formulate models for each basic element. We also present a canonical form of element models using input/output variables and constrained/free variables. The proposed methods provide a coherent framework for superstructure‐based process synthesis, allowing efficient model generation and modification. © 2016 American Institute of Chemical Engineers AIChE J , 62: 3199–3214, 2016

Wu, WenZhao↗
DOE OSTI2023

Cost and life cycle analysis for deep CO 2 emissions reduction of steelmaking: Blast furnace-basic oxygen furnace and electric arc furnace technologies

Iron and steel manufacturing is the largest contributor to CO 2 emissions among heavy industries worldwide. This is mostly due to the use of coal in blast furnace-basic oxygen furnace (BF-BOF) process for virgin (primary) steel production. The electricity generation mix used in the electric arc furnace (EAF) process to recycle scrap steel also contributes to the CO 2 emission associated with secondary steel production. To decarbonize iron and steel sector, we investigated decarbonization options for BF-BOF and EAF processes, including energy efficiency, carbon capture and storage, and the use of clean energy sources, in various BF-BOF and EAF process configurations. Additionally, for each decarbonization approach, we evaluated the CO 2 reduction potential via life cycle analysis (LCA) and estimated the associated cost through techno-economic analysis (TEA). A typical U.S. BF-BOF for virgin steel production has a cradle-to-gate (CTG) CO 2 emissions of 1,990 kg/MT steel with a levelized cost of steel (LCOS) of $\$439$/MT steel, while a typical U.S. EAF process for secondary steel production in the United States has a CTG CO 2 emissions of 270 kg/MT steel with a LCOS of $\$365$/MT steel. Combining renewable energy sources and carbon capture, BF-BOF CTG CO 2 emissions can be reduced to 16 kg/MT steel, and EAF configurations can achieve similar deep reductions to reach 25 kg/MT steel. The corresponding LCOS with these decarbonization levels is estimated to increase to $\$542$/MT steel and $\$348$/MT steel, respectively. The estimated CO 2 avoidance costs vary from -$\$90$/MT CO 2 to $\$646$/MT CO 2 , depending on the various decarbonization technologies and energy prices.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗
DOE OSTI2016

Usefulness of multiqubit W-type states in quantum information processing

We analyze the efficiency of multiqubit W-type states as resources for quantum information. For this, we identify and generalize four-qubit W-type states. Our results show that these states can be used as resources for deterministic quantum information processing. The utility of results, however, is limited by the availability of experimental setups to perform and distinguish multiqubit measurements. We therefore emphasize protocols where two users want to establish an optimal bipartite entanglement using the partially entangled W-type states. We find that for such practical purposes, four-qubit W-type states can be a better resource in comparison to three-qubit W-type states. For a dense coding protocol, our states can be used deterministically to send two bits of classical message by locally manipulating a single qubit. In addition, we also propose a realistic experimental method to prepare the four-qubit W-type states using standard unitary operations and weak measurements.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2023

Solid Phase Processing at the Extreme

The effective application of high-flow-stress materials in the realm of Solid Phase Processing frequently necessitates operating at elevated temperatures and substantially high force. These rigorous processing conditions give rise to intricate predicaments concerning the durability of the tools and dies involved, as well as the efficient utilization of process energy. This project is centered on the investigation of the fundamental scientific aspects inherent to these challenges. We aim to delve into the details of how materials react when subjected to intense shear forces at die interfaces, determine the metallurgical interactions occurring at the interfaces with the dies, and investigate the consequences of extreme temperatures on material flow, microstructural evolution, and resultant properties.

36 MATERIALS SCIENCE↗
DOE OSTI2017

A New Graphical Dismantling Process Simulation Technology for Flexible Planning of Nuclear Facility

The dismantling of highly radioactive components of the nuclear facility is one of the most difficult activities in decommissioning. In the planning stage, the dismantling scenario including dismantling equipment and processes has a significant effect on the cost and safety of the whole decommissioning. High level radiation of the dismantling object such as a reactor pressure vessel (RPV) and its internals restricts access by human workers, and makes an accident during the dismantling process more difficult to deal with. Decommissioning of nuclear facilities demand a large scale of budget and high level of safety, and therefore the preliminary verification of dismantling scenarios by graphical simulation has special importance at planning stage. In recent years, the manufacturing industry has aggressively adopted the virtual manufacturing technology to verify the facilities and processes with high efficiency. The virtual manufacturing technology was beginning to be adopted in the area of the nuclear facility decommissioning. The dismantling process of the Rotary Specimen Rack (RSR) in the Korea Research Reactor-1 and 2 was established and it was also applied to replace the steam generators on time and on budget in San Onofre Nuclear Generating Station. Current virtual manufacturing technologies are not sufficient for the area of nuclear facility decommissioning because the object segmenting function absolutely required for graphical simulations over various dismantling scenarios is unavailable. This paper proposes a new technology for graphical decommissioning simulator which is able to simulate various dismantling scenarios over nuclear facilities including repetitive object cuttings of heavy and complex structures by applying flexible cutting algorithm.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2019

Process Intensification in Multicomponent Distillation: A Review of Recent Advancements

Process Intensification (PI) is an emerging concept in chemical engineering that describes the design innovations that lead to significant shrinkage in size and boost in efficiency of a process plant. Distillation, the most commonly used separation technique in the chemical industry, is a crucial component of PI. We systematically discuss the following aspects of PI in non-azeotropic multicomponent distillation: 1) Introducing thermal couplings to eliminate intermediate reboilers and condensers to save energy and capital cost; 2) Improving operability of thermally coupled columns by means of eliminating vapor streams in thermal couplings with only liquid transfers or column section rearrangement; 3) Enabling double and multi-effect distillation of thermally coupled configurations to further reduce heat duty; 4) Performing simultaneous heat and mass integration among thermally coupled columns to reduce the number of columns and heat duty; and 5) Conducting any thermally coupled distillation in n-product streams using 1 to n - 2 column shells with operable novel dividing wall columns. We demonstrate these aspects of PI through examples to illustrate how they lead to compact, easy-to-operate, energy efficient and cost effective multicomponent distillation system designs.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2022

Multiphysics simulation of microscale copper printing by confined electrodeposition using a nozzle array

3D printing of metals at the microscale and nanoscale is crucial to produce high-density interconnects and intricate structures in electronic devices. Conventional melting and sintering processes are not suitable for these scales due to a reliance on individual metal particles in the size range of tens of micrometers. Confined electrodeposition (CED) is an established alternative to conventional metal 3D printing processes in which an electrolyte is used to selectively induce deposition of the metal on the printing surface. However, commercialization and efficiency of this process have been limited due to a reliance on sub-micrometer nozzles to achieve desirable deposition rates and single nozzle to achieve uniformity of printed structures. Here, we address these challenges by computationally analyzing an array of microscale nozzles. We tailor the convection within the electrolyte to alter both deposition rate and geometric uniformity of the printed structures. The results show that for large nozzles the evaporation alone is not sufficient to obtain high deposition rates, yet an external pressure can be used to increase deposition and alter uniformity (thickness) of printed structures. Our results can be used to design and analyze new experiments toward parallel multi-nozzle deposition using CED toward high-throughput metal printing.

3D printing↗
DOE OSTI2012

CMS Workflow Execution using Intelligent Job Scheduling and Data Access Strategies

Complex scientific workflows can process large amounts of data using thousands of tasks. The turnaround times of these workflows are often affected by various latencies such as the resource discovery, scheduling and data access latencies for the individual workflow processes or actors. Minimizing these latencies will improve the overall execution time of a workflow and thus lead to a more efficient and robust processing environment. In this paper, we propose a pilot job based infrastructure that has intelligent data reuse and job execution strategies to minimize the scheduling, queuing, execution and data access latencies. The results have shown that significant improvements in the overall turnaround time of a workflow can be achieved with this approach. The proposed approach has been evaluated, first using the CMS Tier0 data processing workflow, and then simulating the workflows to evaluate its effectiveness in a controlled environment.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2016

Technology Development in Support of Accelerating the Waste Treatment Mission - 16409

The feed for vitrification to produce a nuclear waste glass is a mixture of waste with glass-forming and modifying additives that is charged onto the cold cap that covers 90-95% of the melt surface. The cold cap consists of a layer of reacting molten glass floating on the surface of the melt in an all-electric, continuous glass melter. As the feed moves through the cold cap, it undergoes chemical reactions and phase transitions through which it is converted to molten glass that moves from the cold cap into the melt pool. Multiple overlapping reactions occur within the cold cap. The process involves a series of reactions that generate multiple gases and subsequent mass loss and foaming significantly influence the mass and heat transfers. The rate of glass melting, is greatly influenced by mass and heat transfers, affects the vitrification process and the efficiency of the immobilization of nuclear waste. Therefore, understanding the cold-cap reactions over the temperature range of the conversion process is critical. It also helps to formulate melter feeds for higher production rate, initiation of crystal forming reactions, and chemical reactions that determine the ultimate fate of technetium in the glass melt. Though the flowsheets at each of the two sites is vastly different development and insertion of mature technological chemical processes and mechanical components can have a significant impact on the duration of the treatment mission and hence the total costs. (authors)

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

Supramolecular Assembly of One-Dimensional Coordination Polymers for Efficient Separation of Xenon and Krypton

Efficient separation and purification of xenon (Xe) from krypton (Kr) represent an industrially crucial but challenging process. While the adsorption-based separation of these atomic gases represents an energy-efficient process, achieving highly selective adsorbents remains a difficult task. Here, we demonstrate a supramolecular assembly of coordination polymers, termed as M(II)-dhbq (M = Mg, Mn, Co, and Zn; dhbq = 2,5-dihydroxy-1,4-benzoquinone), with high-density open metal sites (5.3 nm –3 ) and optimal pore size (5.5 Å), which are able to selectively capture Xe among other chemically inert gases including Kr, Ar, N 2 , and O 2 . Among M(II)-dhbq materials, Mn-dhbq exhibits the highest Xe uptake capacity of 3.1 mmol/g and a Xe/Kr selectivity of 11.2 at 298 K and 1.0 bar, outperforming many state-of-the-art adsorbents reported so far. Remarkably, the adsorption selectivity of Mn-dhbq for Xe/O 2 , Xe/N 2 , and Xe/Ar at ambient conditions reaches as high as 70.0, 139.3, and 64.0, respectively. Direct breakthrough experiments further confirm that all M(II)-dhbq materials can efficiently discriminate Xe atoms from other inert gases. Furthermore, it is revealed from the density functional theory calculations that the strong affinity between Xe and the coordination polymer is mainly attributed to the polarization by open metal sites.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2023

Electron tomography unravels new insights into fiber cell wall nanostructure; exploring 3D macromolecular biopolymeric nano-architecture of spruce fiber secondary walls

Lignocellulose biomass has a tremendous potential as renewable biomaterials for fostering the “bio-based society” and circular bioeconomy paradigm. It requires efficient use and breakdown of fiber cell walls containing mainly cellulose, hemicellulose and lignin biopolymers. Despite their great importance, there is an extensive debate on the true structure of fiber walls and knowledge on the macromolecular nano-organization is limited and remains elusive in 3D. We employed dual-axis electron tomography that allows visualization of previously unseen 3D macromolecular organization/biopolymeric nano-architecture of the secondary S2 layer of Norway spruce fiber wall. Unprecedented 3D nano-structural details with novel insights into cellulose microfibrils (~2 nm diameter), macrofibrils, nano-pore network and cell wall chemistry (volume %) across the S2 were explored and quantified including simulation of structure related permeability. Matrix polymer association with cellulose varied between microfibrils and macrofibrils with lignin directly associated with MFs. Simulated bio-nano-mechanical properties revealed stress distribution within the S2 and showed similar properties between the idealized 3D model and the native S2 (actual tomogram). Present work has great potential for significant advancements in lignocellulose research on nano-scale understanding of cell wall assembly/disassembly processes leading to more efficient industrial processes of functionalization, valorization and target modification technologies.

3-D reconstruction↗
DOE OSTI2021

Particle dynamics and geometric optics in Chern–Simons black holes

Highlights: • Black holes in Chern–Simons modified gravity have been studied. • The effects of the coupling constant of the Chern–Simons gravity on some physical quantities have been investigated. • The dependence of Hawking mass and Penrose process on the coupling constant is studied. • Rotation of the polarization vector is also studied for dependence on the Chern–Simons coupling constant. In this paper we study the effects of the coupling constant of the Chern–Simons modified gravity on some physical properties of black holes. The Hawking mass is one of the proposed definitions of quasilocal mass. We find that, for slowly rotating Chern–Simons black holes, the Hawking mass is independent of the coupling constant. Next, we show the dependence on the centre of mass energy, for two neutral colliding particles, of coupling constant and the rotation parameter. We also investigate energy extraction through Penrose process and find that the energy gain and efficiency of the Penrose process are independent of this coupling constant. Rotation of the polarization vector is also studied for dependence on the Chern–Simons coupling constant.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2017

Cooperative Research and Development Agreement between Applied Minerals, Columbian Chemicals Company and National Energy Technology Laboratory

NETL researchers will be collaborating with Applied Minerals, Inc., and Columbian Chemicals Company, to leverage NETL's patented work in chemical looping to commercialize an efficient and a cost-effective process for production of hydrogen and carbon from natural gas. This hybrid chemical looping process of production of hydrogen and carbon combined with heat production using an oxygen carrier is a promising technology but finding an appropriate oxygen carrier to perform all the functions has been a challenge. NETL has developed a novel dual function oxygen carrier containing copper oxide - iron oxide. This oxygen carrier in the reduced form functions as catalyst to produce carbon and hydrogen from methane and heat required for this endothermic process is provided by either combustion of hydrogen or oxidation of the reduced oxygen carrier. This process is cost effective, energy efficient and environmental friendly with minimal CO2 mitigation costs. The objective of the project is to obtain data necessary for economic evaluation of the process to produce carbon suitable for applications at Columbian Chemicals Company and Applied Minerals Inc.

03 NATURAL GAS↗