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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 1,639 records · Page 91
All sourcesNASA NTRSDOE OSTI
DOE OSTI2022

Effect of biomass liquefaction on glucose and xylose prices predicted by National Renewable Energy Laboratory biochemical sugar model

Abstract The National Renewable Energy Laboratory (NREL) published a model in 2017 that enables the minimum selling price of lignocellulosic sugar to be calculated. The model can be modified to suit any biomass feedstock and operational design. In the present case, the model is used to understand the economics of a process configuration that incorporates liquefaction as a preprocessing step in corn‐stover‐fed biorefinery. This study demonstrates a quantitative approach utilizing an existing biorefinery setup to simulate the biomass liquefaction technique while estimating the price of the resulting sugar product. The objective is to understand whether the addition of liquefaction methodology – and the substitution of acid pretreatment – can reduce the cost of lignocellulosic sugars. The reason for setting up a liquefaction unit at the start is to reduce the yield stress of biomass slurry so that the flow remains unrestricted downstream. The liquefaction process is also unique because it uses no chemicals and saves the cost of pretreatment. The pretreatment step is bypassed because the output of liquefaction can be fed into enzyme hydrolysis just after simple cooking. The liquefaction process can be performed in three modes: enzyme, enzyme mimetic, and a combination of enzyme and enzyme mimetic. The results from the BC1707 model indicate the minimum cost for the enzyme liquefaction route. © 2022 The Authors. Biofuels, Bioproducts and Biorefining published by Society of Industrial Chemistry and John Wiley & Sons Ltd.

09 BIOMASS FUELS↗
DOE OSTI2022

Local Structure Analysis and Modelling of Lignin‐Based Carbon Composites through the Hierarchical Decomposition of the Radial Distribution Function

Abstract Carbonized lignin has been proposed as a sustainable and domestic source of activated, amorphous, graphitic, and nanostructured carbon for many industrial applications as the structure can be tuned through processing conditions. However, the inherent variability of lignin and its complex physicochemical structure resulting from feedstock and pulping selection make the Process‐Structure‐Property‐Performance (PSPP) relationships hard to define. In this work, radial distribution functions (RDFs) from synchrotron X‐ray and neutron scattering of lignin‐based carbon composites (LBCCs) are investigated using the Hierarchical Decomposition of the Radial Distribution Function (HDRDF) modelling method to characterize the local atomic environment and develop quantitative PSPP relationships. PSPP relationships for LBCCs defined by this work include crystallite size dependence on lignin feedstock as well as increasing crystalline volume fraction, nanoscale composite density, and crystallite size with increasing reduction temperature.

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

Dynamic Material Flow Analysis of Silicon Photovoltaic Modules to Support a Circular Economy Transition

Solar photovoltaics (PV) are the fastest growing renewable energy technologies for clean, cheap, and sustainable electricity generation. To prepare for rapid scale-up, the PV industry needs to project material requirements to build out all aspects of the supply chain appropriately and plan to handle large volumes of module waste. Impacts of deploying different material circularity strategies to reduce waste and conserve primary resources need to be quantified to inform sustainable material management. Here, we introduce the photovoltaic dynamic material flow analysis (PV DMFA) model based on PV electricity generation. The model quantifies material flows and stocks in the cradle-to-cradle life cycles of utility-scale c-Si PV systems in the United States through 2100. We present case studies for solar flat glass and aluminum frame materials under various scenarios to project the impacts of PV performance, reliability, and processing parameters, material circularity strategies, and module design shifts. In the absence of circularity measures, ~100 million MT of flat glass and ~12 million MT of aluminum would be needed for PV installations by 2100 to meet projected growth in domestic utility PV demand to nearly 1000 TWh in 2100. With optimistic but feasible improvements in efficiency, reliability, and circularity, material intensity and waste could be reduced by nearly 50%. Efficient module collection, minimally intrusive recycling, and careful scrap handling and cleaning could improve material circularity in the PV value chain. This model serves as a sustainability data support tool that may aid in the circular economy transition for PV systems.

circular economy↗
DOE OSTI2020

Chapter 12: Gene Editing Technologies for Biofuel Production in Thermophilic Microbes

Thermophilic microbes are an attractive bioproduction platform due to their inherently lower contamination risk and their ability to perform thermostable enzymatic processes which may be required for biomass processing and other industrial applications. The engineering of microbes for industrial scale processes requires a suite of genetic engineering tools to optimize existing biological systems as well as to design and incorporate new metabolic pathways within strains. Yet, such tools are often lacking and/or inadequate for novel microbes, especially thermophiles. This chapter focuses on genetic tool development and engineering strategies, in addition to challenges, for thermophilic microbes. We provide detailed instructions and techniques for tool development for an anaerobic thermophile, Caldanaerobacter subterraneus subsp. tengcongensis, including culturing, plasmid construction, transformation, and selection. This establishes a foundation for advanced genetic tool development necessary for the metabolic engineering of this microbe and potentially other thermophilic organisms.

BASIC BIOLOGICAL SCIENCES,BIOMASS FUELS↗
DOE OSTI2024

Measurement of the e+e− → $$ {K}_S^0{K}_L^0 $$π0 cross sections from $$ \sqrt{s} $$ = 2.000 to 3.080 GeV

Abstract Based one + e − collision data collected at center-of-mass energies from 2.000 to 3.080 GeV by the BESIII detector at the BEPCII collider, a partial wave analysis is performed for the processe + e − →$$ {K}_S^0{K}_L^0 $$ K S 0 K L 0 π 0 . The results allow the Born cross sections of the processe + e − →$$ {K}_S^0{K}_L^0 $$ K S 0 K L 0 π 0 , as well as its subprocessese + e − →K ∗ (892) 0 $$ \overline{K} $$ K ¯ 0 and$$ {K}_2^{\ast } $$ K 2 ∗ (1430) 0 $$ \overline{K} $$ K ¯ 0 to be measured. The Born cross sections fore + e − →$$ {K}_S^0{K}_L^0 $$ K S 0 K L 0 π 0 are consistent with previous measurements by BaBar, but with substantially improved precision. The Born cross section lineshape of the processe + e − K ∗ (892) 0 $$ \overline{K} $$ K ¯ 0 is consistent with a vector meson state around 2.2 GeV with a significance of 3.2σ. A Breit-Wigner fit determines its mass asM Y = (2164.7±9.1±3.1) MeV/c 2 and its width as Γ Y = (32.4±21.0±1.8) MeV.

Physics↗
DOE OSTI2022

Measurement of e + e – → $\mathrm{K^+K^–π^0}$ cross section and observation of a resonant structure

Based on collision data collected by the BESIII detector at the BEPCII collider at center-of-mass energies from 2.000 to 3.080 GeV, a partial-wave analysis is performed for the process $e^+e^–$→ $K^+K^–π^0$. The Born cross section of the process $e^+e^–$→ $K^+K^–π^0$ and its subprocesses $e^+e^–$ → $\phi π^0, K^{*+}$(892)$K^–$ and $K^{*+}_{2}$(1430)$K^–$ are measured. The results for $e^+e^–$→ $K^+K^–π^0$ and $\phi π^0$ are consistent with the BaBar measurements and with improved precision. By analyzing the cross sections of the subprocesses $e^+e^–$ → $K^{*+}$(892)$K^–$ and $K^{*+}_{2}$(1430)$K^–$ a structure with mass $M_R$ = (2190 ± 19 ± 37) MeV/c 2 and width $Γ_R$ = (191 ± 28 ± 60) MeV is observed with a combined statistical significance of 7.1σ. The measured resonance parameters suggest it can be identified as the $\phi$(2170), thus the results provide valuable input to understand the internal nature of this state.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2019

A dual-mesh method for efficient thermal stress analysis of large-scale welded structures

Transient thermo-mechanical analysis of welding problem requires tremendous computation cost. To accelerate the thermal analysis of large-scale welded structures, an efficient computation scheme based on heat transfer localization and dual meshes was proposed. The computation accuracy is guaranteed by a local fine mesh model with size determined by a theoretical solution and a global coarse mesh model with equivalent heat input. The validity and accuracy of the dual-mesh method were verified using an experimental bead-on-plate model. By extending the weld length, the computation time of the proposed method was proved to be almost linearly dependent on the model scale. The thermal analysis of fillet welding of a large panel structure with 6-m-long weld was accelerated by 10 times over conventional finite element analysis and 2.2 times over adaptive mesh method. Meanwhile, the physical memory consumption was also greatly reduced by the dual-mesh method. Such efficient computation method enables fast evaluation of welding stress and distortion which are vital for manufacturing process and structure performance.

36 MATERIALS SCIENCE↗
DOE OSTI2018

Optimization of FeSe Superconducting Tapes with Different Sheath Materials and Precursor Powders

FeSe superconducting tapes with different sheath materials of Nb/Cu composite, Ag, and Fe have been fabricated with a traditional in situ powder-in-tube (PIT) process, respectively. With the same cold working process and heat treatment, the influences of different sheath materials on the phase composition and microstructures of FeSe filaments have been analyzed. Due to the reaction between Nb-Se and Ag-Se, Nb{sub 2}Se and Ag{sub 2}Se particles can be clearly observed embedded in the filaments. Therefore, it is necessary to introduce a new method for the fabrication of Ag or Nb sheath FeSe wires in order to avoid the introduction of metal Fe in magnet system during practical applications. Based on our previous study, a high-energy ball milling process has been performed to achieve precursor powders with amorphous FeSe binary compound instead of elemental Se. The formation of Ag-Se compounds has been successfully avoided and the superconducting tapes with high superconducting FeSe critical temperature of 9.0 K have been obtained.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2019

Efficiency of low-molecular-weight and high-molecular-weight alkoxyamines in the synthesis of polystyrene

The influence of the structure of high-molecular-weight alkoxyamines (obtained in situ from C-phenyl-N-tert-butylnitrone and 2-(benzylideneamino)-2-methyl-1-phenylpropanol-1-N-oxide) and their low-molecular-weight analogs on styrene polymerization in the temperature range 70—110 ° was analyzed. The controlled synthesis of polystyrene in the presence of low-molecular-weight alkoxyamines was revealed to occur most efficiently at 110 °. The use of high-molecular-weight alkoxyamines makes it possible to perform the controlled process under lower-temperature conditions (70—90 °), when the constant polymerization rate and linear increase in the molecular weight with conversion are observed, and the synthesis of polymers with fairly low polydispersity (M{sub w}/M{sub n} ~ 1.26) is also possible. The quantum chemical calculations showed that the energy of the C-ON bond in alkoxyamines is determined by the length of the chains at the nitroxide fragment rather than the structure of the substituents. It is found that the equilibrium dissociation constants of high-molecular-weight alkoxyamines are caused by both the structure of the nitroxide fragment and molecular weights.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2018

Feasibility Study of Making Metallic Hybrid Materials Using Additive Manufacturing

In this paper, a metallic hybrid structure, consisting of an Inconel-718 matrix and a Co-Cr internal structure, was successfully manufactured using laser direct energy deposition process. Characterizations were performed using energy dispersive spectroscopy (EDS), X-ray diffraction (XRD), neutron-computed tomography (nCT), and electron back-scatter diffraction (EBSD) to verify the interfaces between Co-rich and Ni-rich phases. nCT revealed the internal structures to be continuous without cracking or significant intermixing due to inter-diffusion of Co and Ni (i.e., dissolved boundaries between the two structures). Minor porosity was detected. EBSD confirmed a good bond at the granular level. No precipitate phases were detected with XRD. Finally, EDS revealed dilution/intermixing between the Co and Ni interfaces presumably due to melt-pool overlay between the matrix and the internal structures.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Advancing Development and Application of Superalloys

This JOM topic is sponsored by the High Temperature Alloys Committee of TMS and addresses advances in the development and application of superalloys. Each year, the High Temperature Alloys Committee organizes symposia at the TMS and Materials Science and Technology annual meetings. In 2020, two symposia were organized for the TMS annual meeting on February 23–27 in San Diego, CA: Materials Design Approaches & Experiences V, co-sponsored by the Integrated Computational Materials Engineering Committee and Advancing Current and State-of-the-Art Applications of Ni- and Co-base Superalloys, co-sponsored by the Corrosion and Environmental Effects Committee. Later this year, the 14th International Symposium on Superalloys will be held on September 13-17 in Seven Springs, PA. The conference, held every 4 years, convenes members of the superalloy community to discuss recent challenges and discoveries affecting future performance and use of superalloys. The TMS High Temperature Alloys Committee meets at both the TMS Annual Meeting & Exhibition and the annual Materials Science and Technology conference. The meetings are open to anyone interested in high-temperature alloys. This special topic on Advancing Development and Application of Superalloys includes a range of sub-topics including mechanical performance, corrosion resistance, processing and advanced manufacturing techniques, which were submitted by research groups from industry, national laboratories and universities.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Thermo-hydraulic steam pipe models for district heating simulations: Simplifications to balance accuracy and simulation speed

Steam piping networks are essential for optimizing performance in industrial processes and district heating systems. However, dynamic models that balance thermo-hydraulic accuracy with computational efficiency remain limited. In response, this paper presents a new discretized steam pipe model based on the plug flow approach, capturing key thermo-hydraulic behaviors while simplifying steam phase change processes. Implemented in Modelica, the model accurately calculates temperature and pressure distributions along steam pipelines. To improve computational efficiency for district-scale simulations, five model simplifications are introduced: lumped thermo-hydraulic functions, empirical correlations, fluid state approximations, steady-state dynamics and inclusion of flow derivatives. These simplified models achieve 85%-98% accuracy in predicting pressure drop and condensation losses, including dynamic condensate behavior during pipe warm-up—a factor often overlooked in existing models. The models support diverse network configurations, scaling effectively to systems with multiple distribution pipes and connected building loads. Discrete models provide detailed insights but exhibit a cubic increase in simulation time as the network scales by N connected building O(N 2.42 ). In contrast, lumped models simulate 10–28 times faster than discrete, offering quadratic scaling of simulation time O(N 1.73 ). However, they still require 6 times more computation time than a lossless network, highlighting the inherent computational challenges of modeling compressible fluid flow. In conclusion, the steady-state lumped variant, with its near-linear scalability in computational time O(N 1.01 ), emerges as an efficient solution for preliminary design evaluations and extensive parametric studies.

15 GEOTHERMAL ENERGY↗
DOE OSTI2022

Network Optimization of the Electrosynthesis of Chemicals from CO2

Carbon dioxide electroreduction (ECO2R) is gaining attention due to its capacity to mitigate CO2 emissions while using electricity that would otherwise be curtailed. Its foreseeable industrial implementation requires of holistic methods to assess the technological and economic performance of ECO2R processes and integrate them in current chemical supply chains and power systems. Here, we combine techno-economic assessment and mathematical programming to find the optimal paths to electroreduce CO2 into valuable chemicals under variable electricity prices. The proposed approach is tested with a case study addressing the CO2 capture from flue gas or direct air and its electricity-powered reduction into carbon monoxide, formic acid or multi-carbon compounds. The results obtained demonstrate the ability of the framework to build ECO2R networks and provide operation profiles that respond to fluctuating electricity prices.

carbon dioxide↗
DOE OSTI2019

Microstructure, fatigue, and impact toughness properties of additively manufactured nickel alloy 718

A complete understanding of processing-structure-property-performance relationship of additively manufactured (AM) components are critical from an application standpoint. Therefore, in the current investigation, a comprehensive microstructural characterization and mechanical properties (tensile, fatigue and impact toughness) evaluation of nickel alloy 718 AM by the laser powder bed fusion (L-PBF) technique have been performed. AM builds were made from powders manufactured via different atomization conditions. Although the standard post-heat treatment procedure led to the removal of severe interdendritic segregation both grain boundary and intra-grain precipitation of d phase occurred. Regardless of d phase presence, axial fatigue properties of both the AM builds were similar to design handbook wrought fatigue data. However, due to the d phase, impact toughness properties were comparable to the wrought material conditions that exhibited d phase. Fractured surfaces of Charpy impact samples exhibited crack propagation extensively along the boundaries decorated by d precipitates.

Komarasamy, Mageshwari↗
DOE OSTI2024

Operando visualization of porous metal additive manufacturing with foaming agents through high-speed x-ray imaging

Porous metals find extensive applications in soundproofing, filtration, catalysis, and energy-absorbing structures, thanks to their unique internal pore structure and high specific strength. In recent years, there has been an increasing interest in fabricating porous metals using additive manufacturing (AM), leveraging its unique advantages, including improved design freedom, spatial material control, and cost-effective small-batch production. In this study, we conducted pioneering operando visualization of AM porous metal using a laser powder bed fusion (L-PBF) setup combined with a high-speed synchrotron x-ray imaging system. Single track printing experiments using Ti6Al4V (Ti64) combined with titanium hydride (TiH 2 ) and sodium carbonate (Na 2 CO 3 ) as foaming agents, with varying mixing ratios were performed under different processing conditions. Here. the results elucidate the dynamic development of porosity formation. The average pore size is significantly influenced by the particle size of foaming agents when pore coalescence is absent. For all foaming agent content tested in the current study, the number of pores is found to be more sensitive to changes in laser power than in laser scanning speed. Increasing linear energy density (increasing laser power or reducing laser scanning speed) promotes the foaming agent activation thereby porosity formation. However, high linear energy density skews pore distribution towards the surface despite forming deeper melt pools. In addition, the impact of additional factors including foaming agent's laser absorptivity and decomposition kinetics with respect to AM time scales should be carefully considered to avoid ineffective activation of foaming agents during the AM of porous metals.

36 MATERIALS SCIENCE↗
DOE OSTI2025

AutoTandemML: Active Learning Enhanced Tandem Neural Networks for Inverse Design Problems

Inverse design in science and engineering involves determining optimal design parameters that achieve desired performance outcomes, a process often hindered by the complexity and high dimensionality of design spaces, leading to significant computational costs. To tackle this challenge, we propose a novel hybrid approach that combines active learning with Tandem Neural Networks to enhance the efficiency and effectiveness of solving inverse design problems. Active learning allows to selectively sample the most informative data points, reducing the required dataset size without compromising accuracy. We investigate this approach using three benchmark problems: airfoil inverse design, photonic surface inverse design, and scalar boundary condition reconstruction in diffusion partial differential equations. We demonstrate that integrating active learning with Tandem Neural Networks outperforms standard approaches across the benchmark suite, achieving better accuracy with fewer training samples.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2021

In-situ X-ray and visual observation of foam morphology and behavior at the batch-melt interface during melting of simulated waste glass

We report to attain a basic understanding of the primary foam structure and behavior, which affects the heat and mass transfer and the efficiency of the glass melting process, we investigated the primary foam layer under the glass batch floating on molten glass. The primary foam affects mass transfer during batch melting, in turn affecting the melting process. The recently performed direct in-situ three-dimensional X-ray computed tomography of the batch melting in a laboratory-scale melter vessel allowed us to visualize the features of the reacting batch layer and the foam that develops at its bottom, though with an insufficient resolution of images. In this study, we obtained better temporal and spatial resolution using the two-dimensional X-ray radiography and visual observation of the structure and behavior of transient primary foam as it formed and decayed. As soon as the batch was charged onto the melt surface, foam bubbles began to evolve, grow, and coalesce, forming a primary foam layer, 5-10 mm thick, within tens of seconds. This foam layer was sustained by ongoing gas evolving reactions counterbalanced by bubble coalescence into cavities that moved sideways and escaped to the atmosphere. Eventually, the entire remaining batch turned into foam that gradually decayed at the melt surface. The decay rate agreed with literature observations of surface foam produced by secondary foaming.

36 MATERIALS SCIENCE↗
DOE OSTI2019

A review of computational modeling techniques in study and design of shape memory ceramics

Shape memory ceramics are a unique family of shape memory materials with a wide variety of applications, such as ultra-high energy dissipation and high-temperature actuation. Along with significant progress in the experimental study of zirconia-based shape memory ceramics in recent years, computational simulations have exhibited powerful capabilities in revealing nano/microstructure-dependent deformation and failure mechanisms in these materials. In this work, we review the recent progress in understanding the phase transformation behavior in shape memory ceramics, focusing on computational modeling of zirconia-based ceramics. Electronic structure calculations have provided new data on the phase stability and surface properties of shape memory ceramics. At the nanometer length scale, molecular dynamics simulations have captured fundamental information about martensitic phase transformation and the effects of grain boundaries and defects on mechanical response of bi- and polycrystalline zirconia-based ceramics. At the micrometer length scale, advanced phase-field models have shown the ability to predict morphological evolution of microstructures and the corresponding mechanical responses in good agreement with experimental observations. Despite the recent multiscale computational advancements, further developments are required to establish processing-structure-property-performance relations that will lead to reliable and practical strategies for designing zirconia-based (or other) ceramics with improved and sustained shape memory responses. This article critically reviews current computational modeling techniques and provides an outlook for the study and design of the next generation of shape memory ceramics.

36 MATERIALS SCIENCE↗