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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 73 records · Page 4
All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

DECOVALEX-2023: Task G, SAFENET Final Report

DECOVALEX Task G deals with fracture mechanics at several scales using a combined approach of experimental work, related model development, benchmarking and experimental analysis. Fig. 0.1 provides a graphical abstract for Task G. The experimental basis for the related mechanical (M), hydro-mechanical (HM), and thermo-mechanical (TM) processes comes from the rock mechanics laboratories of Universities of Freiberg (TUBAF) and Edinburgh, as well as the Korea Institute of Civil Engineering and Building Technology (KICT). The experimental work in the rock laboratories is closely linked to the underground research laboratories (URLs) Reiche Zeche (Germany), KURT (Korea), and Mont Terri (Switzerland). The scientific key questions are related to fracture permeability evolution under THM conditions, anisotropy effects on fracturing processes, and thermal fracture slip, which are being addressed in specific steps of the task. A large variety of numerical methods have been developed and applied for experimental analysis, ranging from continuum to discontinuum approaches. A detailed comparison of mechanical and hydro-mechanical processes is given in the section 3 via the benchmarking exercises. As a result of DECOVALEX-2023 Task G we further improved our understanding and predictability of fracturing processes under THM conditions. This was based on robust numerical simulation methods and in-depth experimental analysis.

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

Scalable Two–Step Production of High–Efficiency Perovskite Solar Cells and Modules

Perovskite solar cells (PSCs) fabricated in laboratories have already achieved power conversion efficiency (PCE) comparable to market-dominant crystalline silicon solar cells. However, this promising photovoltaic technology suffers from severe loss of PCE during scaling up, limiting its progress toward commercialization. One critical question is to develop scalable, low-cost, high throughput, and well-controlled production methods to deposit high-quality perovskite films. Among various approaches, two-step sequential deposition methods have their unique advantages but have been long overlooked. This review provides an overview of two-step methods for fabricating efficient and stable perovskite solar modules (PSMs). We first discuss the mechanisms of two-step perovskite conversion and advanced engineering approaches to modulate the perovskite formation process. We survey the progress of efficient PSCs prepared by different two-step methods and compare the advantages and disadvantages of each method for scalable production of PSMs. Particularly, we highlight that the vapor-based two-step methods are promising for high-throughput in-line production of PSMs. Finally, we provide insights into the challenges and outlook of the industrialization of two-step processes for producing PSMs.

14 SOLAR ENERGY↗
DOE OSTI2025

Additive manufacturing of high‐density silicon carbide ceramics through post‐processing spark plasma sintering

This research advances the field of additive manufacturing (AM) of silicon carbide (SiC) ceramics by integrating spark plasma sintering (SPS) to enhance material density, mechanical strength, and thermal properties. Traditional AM techniques struggle to achieve the high‐density SiC required for demanding applications, such as aerospace engineering, where high thermal conductivity and mechanical strength are paramount. Here, our study addresses these challenges by incorporating SPS as a post‐processing step, achieving near‐theoretical maximum densities and significantly reducing porosity, thereby resulting in outstanding thermal conductivity in SiC ceramics. We developed a specialized SiC ink optimized for 3D printing, ensuring structural integrity after deposition through tailored rheological properties. The application of SPS facilitates rapid, uniform sintering, essential for attaining superior density, mechanical properties, and thermal performance. Our experimental results, confirmed through scanning electron microscopy analysis, demonstrate significant microstructural properties, mechanical strength, and thermal conductivity, showcasing the effectiveness of integrating SPS in AM processes. This innovative approach not only expands the capabilities of AM in producing complex, high‐density ceramic structures but also broadens the potential applications of SiC in demanding environments.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Stochasticity in microbiology: managing unpredictability to reach the Sustainable Development Goals

Pure (single) cultures of microorganisms and mixed microbial communities (microbiomes) have been important for centuries in providing renewable energy, clean water and food products to human society and will continue to play a crucial role to pursue the Sustainable Development Goals. To use microorganisms effectively, microbial engineered processes require adequate control. Microbial communities are shaped by manageable deterministic processes, but also by stochastic processes, which can promote unforeseeable variations and adaptations. Here, we highlight the impact of stochasticity in single culture and microbiome engineering. First, we discuss the concepts and mechanisms of stochasticity in relation to microbial ecology of single cultures and microbiomes. Second, we discuss the consequences of stochasticity in relation to process performance and human health, which are reflected in key disadvantages and important opportunities. Third, we propose a suitable decision tool to deal with stochasticity in which monitoring of stochasticity and setting the boundaries of stochasticity by regulators are central aspects. Stochasticity may give rise to some risks, such as the presence of pathogens in microbiomes. We argue here that by taking the necessary precautions and through clever monitoring and interpretation, these risks can be mitigated.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2020

Advances in catalytic production processes of biomass-derived vinyl monomers

Plastic industries currently source the majority of monomers from crude oil substances. Although we have witnessed a significant interest of companies in the utilization of sustainable feedstock materials for bio-based compound synthesis in the past decade, the transition to photosynthetic or chemosynthetic plant-based production in a circular carbon economy is largely slow due to complex biomass processing, costs and related reaction factors. The upgrade of the separated platform chemicals with a deeper supporting understanding of processes, models and a root–cause analysis about the underlying distribution challenges of engineered transformation mechanisms, catalyzed conversion pathways and selectivity would be beneficial to advance applied scientific development, bio-refining and manufacturing output amount. This review provides a summary, assessment and perspective for three important polymer-forming vinyl molecules, i.e. acrylic acid, methacrylic acid and styrene. These provide a backbone to produce acrylates, polystyrene, resins, rubbers, protective surface coatings, adhesives, textiles and other obtained copolymers. A succinct analytical overview on the thermo-catalytic intermediate routes for property-wise drop-in alternatives is presented. Sugars, acrolein, allyl alcohol, ethylbenzene, glycerol, 3-hydroxypropionic acid, isobutene, itaconic acid and lactic acid are considered as the main starting reactants. Catalysts span mixed metal oxides, silicates, native or impregnated zeolite frameworks (HBEA, HZSM, and MFI) and hetero-poly acids as well as homogeneous base hydroxides or platinum group metals, supported on carbon, alumina and sulfates. Finally, the article concludes with a brief state sum-up of the results, topics and opportunities for systematic future research or scaling.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2020

Perspectives on three-dimensional printing of self-assembling materials and structures

Spiders, silks, and webs are marvels of nature that have inspired high-performance material design, resilient structural design, and innovative manufacturing in the materials science and engineering fields. In this article, we review the roles and mechanisms of self-assembly and spinning processes for making hierarchical structures of synthetic and natural fibers with multifunctionality. We discuss the ability of spider webs to maintain their functionality under construction while withstanding predator, human, and environmental threats, which comes from their self-assembled structures from nanoscales to macroscales. We conclude by exploring the future of novel mobile, autonomous, time- and cost-effective spider-inspired three-dimensional printing technology for making resilient biomaterials, structures, and synthetic silk materials.

42 ENGINEERING↗
DOE OSTI2024

Porous Polymer Structures with Tunable Mechanical Properties Using a Water Emulsion Ink

Recently, the manufacturing of porous polydimethylsiloxane (PDMS) with engineered porosity has gained considerable interest due to its tunable material properties and diverse applications. An innovative approach to control the porosity of PDMS is to use transient liquid phase water to improve its mechanical properties, which has been explored in this work. Adjusting the ratios of deionized water to the PDMS precursor during blending and subsequent curing processes allows for controlled porosity, yielding water emulsion foam with tailored properties. The PDMS-to-water weight ratios were engineered ranging from 100:0 to 10:90, with the 65:35 specimen exhibiting the best mechanical properties with a Young’s Modulus of 1.17 MPa, energy absorption of 0.33 MPa, and compressive strength of 3.50 MPa. This led to a porous sample exhibiting a 31.46% increase in the modulus of elasticity over a bulk PDMS sample. Dowsil SE 1700 was then added, improving the storage capabilities of the precursor. The optimal storage temperature was probed, with -60 °C resulting in great pore stability throughout a three-week duration. The possibility of using these water emulsion foams for paste extrusion additive manufacturing (AM) was also analyzed by implementing a rheological modifier, fumed silica. Fumed silica’s impact on viscosity was examined, revealing that 9 wt% of silica demonstrates optimal rheological behaviors for AM, bearing a viscosity of 10,290 Pa·s while demonstrating shear-thinning and thixotropic behavior. This study suggests that water can be used as pore-formers for PDMS in conjunction with AM to produce engineered materials and structures for aerospace, medical, and defense industries as sensors, microfluidic devices, and lightweight structures.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Binder Effects on Processing, Mechanical Properties, and Performance of Thin Sulfide Solid‐State Electrolytes

All‐solid‐state batteries (ASSBs) offer enhanced safety and energy density compared to conventional lithium‐ion batteries by replacing flammable liquid electrolytes with solid‐state electrolytes (SSEs). Among SSEs, sulfide‐based electrolytes exhibit high ionic conductivity and mechanical deformability, making them promising candidates for next‐generation energy storage. However, their practical implementation is hindered by interfacial instability, mechanical brittleness, and challenges in fabricating ultrathin electrolyte membranes (<30 μm) with robust mechanical integrity. Here, this study systematically examines the influence of polymeric binders—polyisobutylene, hydrogenated nitrile butadiene rubber, and styrene–ethylene–butylene–styrene (SEBS)—on the structural, mechanical, and electrochemical performance of thin sulfide SSE membranes. Key findings reveal that SEBS enables the fabrication of ultrathin, uniform membranes, while binder elasticity significantly affects structural stability during cycling. Operando stack pressure measurements indicate that binder properties directly influence adhesion force for LPSCl particles, influencing their stabilizing cycling period. These results underscore the critical role of polymer binders beyond mechanical reinforcement, positioning them as essential design variables in sulfide SSE engineering. By linking binder chemistry to processability and electrochemical performance, this study provides insights into optimizing sulfide SSEs, advancing their commercial viability in ASSBs.

argyrodite sulfide electrolyte↗
DOE OSTI2021

Development of Efficient Process for Manufacturing of Thermoplastic Composites with Tailored Properties (CRADA 511)

This is a collaborative effort between Battelle Memorial Institute as manager and operator of Pacific Northwest National Laboratory (PNNL) and ESI North America Inc. (“ESI” or “Participant”) to apply computation and data analytics to the challenge of light weighting with a focus on the battery enclosures of electric vehicles (EVs). EVs use heavy batteries to increase range and power. A complex-shaped battery enclosure is required to meet a host of challenging performance requirements. The ability to virtually develop composite parts such as battery enclosure with tailored properties to meet required performance will be highly valuable to the automotive industry. However, efficient simulation of composite-manufacturing processes remains a challenging issue since simulation involves multiscale models in space and time, highly non-linear and anisotropic behavior, strongly coupled multi-physics, and complex geometries. This work will advance the state of the art by reducing the computational burden of composite optimization by using simulation data from a limited number of configurations off-line and then developing a reduced order model (ROM) using data analytics and machine learning (ML). Develop a data driven approach to link features of the material and manufacturing processes to the mechanical properties of thermoplastic composite parts.

42 ENGINEERING↗
DOE OSTI2025

Tailoring the Physicochemical Properties of Nb Thin Films via Surface Engineering Methods

The modification of surface oxide layers formed on niobium (Nb) thin films via chemical mechanical planarization (CMP) and accelerated neutral atom beam (ANAB) processing provides a promising route toward tailoring their emergent properties and performance when used as superconducting qubits. Here, in this study, we show that CMP- and ANAB-formed Nb oxides are significantly thinner and smoother than the native oxide, as revealed by transmission electron microscopy (TEM) and atomic force microscopy. Scanning TEM and energy-dispersive X-ray spectroscopy along with X-ray photoelectron spectroscopy identified an oxidation gradient within the native and surface-engineered oxides. The topside layer is dominated by Nb 5+ (Nb 2 O 5 ), with various Nb suboxides present closer to the oxide/metal interface. Time-of-flight secondary ion mass spectrometry (ToF-SIMS) depth profiling confirmed the presence of an oxygen content gradient and demonstrated the enhanced resistance of the CMP- and ANAB-formed oxides to oxygen surface exchange and subsequent diffusion via 18 O 2 isotopic labeling experiments. ToF-SIMS also identified an interfacial layer containing trapped hydrogen (H)-containing species at the Nb oxide/metal interface. In situ ToF-SIMS and TEM revealed migration of the H/OH interfacial layer coinciding with decomposition of the surface oxide. Furthermore, our density functional theory calculations indicated that both H from moisture present in ambient air and bulk H in Nb films tend to segregate at the interface. These findings underscore the importance of understanding surface oxidation mechanisms, hydrogen incorporation, and their impact on the designed functionalities of Nb-based devices.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Developing a Decision Support Engine to Enable Irrigation Modernization - Poster

Irrigation systems in the United States are some of the oldest continually utilized infrastructure in existence today, with some systems exceeding 100 years in age. They are operated to meet farming demands but are managed through a balance of varying influence: policies limiting water usage, stakeholder interests, and environmental impacts. Irrigation modernization is defined as a set of activities that update and improve existing irrigation systems, including, but not limited to improving water quantity, development of distributed energy resources for surrounding communities, ecosystem services, and improved agricultural yields. Modernizing an existing irrigation system can enable stakeholders to combat changing environmental and population demands but is difficult because the complexity involved in determining the potential benefits and consequences of irrigation modernization is high. We are combining a large amount of various geospatial, tabular, and temporal data with subject matter expertise into a decision support engine that will enable stakeholders to determine the benefits and consequences of irrigation modernization in their irrigation systems. A web-based GIS will allow the user to construct the modifications out of a palette of modernization options, which will be sent to the analytics engine for computations, and back to the web client for a graphical display and comparison of relevant metrics. Our development process involves four phases: 1) identify mechanisms of modernization, 2) identify data requirements, data streams, first principles and applicable algorithms necessary to quantify modernization mechanisms, 3) create ‘modules’ for each modernization mechanism, these modules will form the decision support engine, each capable of performing independently but can also inform other modules when needed, 4) Merge the decision support engine with a user interface, capable of ingesting user inputs and returning insights into the impacts of a modernization project as they relate to economic, environmental, monetary, and energy generation. Once complete, it is our intention that this tool will be fundamental in irrigation modernization projects, providing a strong analytical basis from which stakeholders can quickly make informed decisions regarding project development.

13 HYDRO ENERGY↗
DOE OSTI2022

BETO 2021 Peer Review: Algae Biotechnology Partnership - Technology Area Session: Advanced Algae Systems

Development of advanced genetic and genomic tools for targeted algal metabolic engineering pursuits will be integral to achieving target biomass productivity and, ultimately, the BETO goal of cost-competitive biofuels derived from algal biomass by 2022. However, at present, broad-host-range tool development is currently hindered by strain-specific negative regulatory mechanisms. Indeed, the biological processes controlling algal transcription and translation are subject to complex host regulation, which often presents hurdles for targeted genetic engineering strategies. Advanced genetic approaches offer a means to rewire these regulatory systems and/or introduce novel functionality into algal biocatalysts. Synthetic systems biology approaches also present a means to construct novel genetic regulatory networks and rewire natural biological systems to establish an “orthogonal central dogma,” wherein non-native control elements are introduced into or evolved in host microbes for bypass of host control. To this end, the Algae Biotechnology Partnership aims to develop advanced genetic editing tools and synthetic and orthogonal genetic regulatory systems to enable universal metabolic engineering strategies in top-candidate deployment algal strains. Successful development will ultimately open the door for targeted strain-engineering strategies, aimed at maximizing algal outdoor biomass production, composition, and strain robustness.

biocatalysis↗
DOE OSTI2023

Interfacial microstructure and mechanical properties of rotary inertia friction welded dissimilar 422 martensitic stainless steel to 4140 low alloy steel joints

In this work, dissimilar rotary inertia friction welds between 422 martensitic stainless steel and 4140 martensitic low-alloy steel were made to fabricate prototype heavy-duty diesel engine pistons. The influence of the inertia friction welding process and post weld heat treatment (PWHT) temperature on the interfacial microstructure evolutions and corresponding effects on mechanical properties of the 422/4140 welds were evaluated in detail. Carbon diffused from the 4140 side to the 422 side during PWHT at 650 °C for 1.5 h, causing the formation of a hard carbide-rich layer on the 422 side, and a softer but discontinuous C-depleted layer the 4140 side. PWHT at 700 °C for 1.5 h greatly accelerated C diffusion across the interface relative to 650 °C, resulting in a thicker hard carbide-rich layer and a relatively thick and continuous layer of coarse C-depleted grains (ferrite) on the 4140 side. In addition, the PWHT temperature greatly influenced the tensile properties and fracture behavior of the welds, with the 650 °C PWHT-ed samples failing predominately in a ductile manner in the 4140 heat affected zone during tensile testing. Conversely, the 700 °C PWHT specimens exhibited a strength reduction compared with the 650 °C PWHT specimens because of additional coarsening of the interfacial ferrite layer and softening of the base materials during PWHT, with brittle fracture between the hard and soft layers the predominate failure mechanism. Based on the findings, a reduced PWHT temperature and/or time, minimizing the hardness differential of the base metals, and pre-heating the 422 steel prior to welding are the potential pathways to achieve a more optimal balance between desirable tempering and stress relief of the weld microstructure and undesirable C migration across the weld interface, and to reduce the strength mismatch across the weld.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Investigation of 3D printed lightweight hybrid composites via theoretical modeling and machine learning

Hybrid composites combine two or more different fillers to achieve multifunctional or advanced material properties, such as lightweight and enhanced mechanical properties. The properties of the composites significantly depend on their microstructures, which can be tailored via advanced 3D printing processes. Understanding the process-structure-property relationships is critical to enable the design and engineering of novel hybrid composites for applications in aerospace, automotive, and protective coatings. Here, for this work, we develop 3D printable and lightweight hybrid composites and leverage the conventional design of experiments, a theoretical hybrid model, and an image-driven machine learning (ML) method to investigate their mechanical behaviors. The hybrid composites are formulated with elastomer matrix, microfillers, and thin-shell particles, enabling a significant degree of design freedom of microstructures with densities and mechanical properties varying up to 70% and 91%, respectively. Our statistical analysis indicates that the 3D printing path direction and the microfibers fraction are dominating process parameters with contribution percentages of 45.3% and 57.7% on the specific stiffness and strength, respectively. A hybrid mechanics model is developed based on a simple Weibull distribution function and classical single-filler models to effectively capture the variations in mechanical properties, however, it overestimates the values due to its statistical constraints and idealization of experimental uncertainty. The image-driven ML model leverages the microscale images directly without losing the structural details, shows more accurate predictions with experimental data, and has 48.6% lower root mean square error than the theoretical model.

3D printing↗
DOE OSTI2026

Mechanical behaviour of additively manufactured metals

Additive manufacturing is reshaping the production of engineering components in diverse industries, such as the automotive, aerospace, defense, and biomedical sectors, by offering unprecedented design flexibility. The non-equilibrium processing conditions of additive manufacturing generate materials with unique microstructures and tailored mechanical properties that are often unattainable through conventional routes. This review focuses on recent advances in additively manufactured metals that demonstrate distinctive mechanical behaviors, including strength-ductility synergy, microstresses and gradient plasticity, fracture and fatigue resistance, and high-temperature creep performance. Here, we examine the mechanisms and micromechanical effects arising from the heterogeneous microstructures fabricated by additive manufacturing, to guide the design of a wide range of high-performance structural materials. Furthermore, we discuss critical research needs and emerging opportunities in process control, alloy design, advanced characterization, high-fidelity computational modeling, and machine learning aimed at achieving exceptional mechanical properties in additively manufactured metals.

Additive Manufacturing↗
DOE OSTI2021

Microbial production of megadalton titin yields fibers with advantageous mechanical properties

Manmade high-performance polymers are typically non-biodegradable and derived from petroleum feedstock through energy intensive processes involving toxic solvents and byproducts. While engineered microbes have been used for renewable production of many small molecules, direct microbial synthesis of high-performance polymeric materials remains a major challenge. Here we engineer microbial production of megadalton muscle titin polymers yielding high-performance fibers that not only recapture highly desirable properties of natural titin (i.e., high damping capacity and mechanical recovery) but also exhibit high strength, toughness, and damping energy — outperforming many synthetic and natural polymers. Structural analyses and molecular modeling suggest these properties derive from unique inter-chain crystallization of folded immunoglobulin-like domains that resists inter-chain slippage while permitting intra-chain unfolding. These fibers have potential applications in areas from biomedicine to textiles, and the developed approach, coupled with the structure-function insights, promises to accelerate further innovation in microbial production of high-performance materials.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Sol-gel processing of a covalent organic framework for the generation of hierarchically porous monolithic adsorbents

Covalent organic frameworks (COFs) have emerged as a versatile material platform for such applications as chemical separations, chemical reaction engineering, and energy storage. Their inherently low mechanical stability, however, frequently renders existing methods of pelletization ineffective, contributing to pore collapse, pore blockage, or insufficient densification of crystallites. Here, we present a process for the shaping and densifying of COFs into robust centimeter-scale porous monoliths without the need for templates, additives, or binders. This process minimizes mechanical damage from shear-induced plastic deformation and further provides a network of interparticle mesopores that we exploit in accessing analyte capacities above those achievable from the intrinsic COF structure. Using a lattice-gas model, we accurately capture the monolithic structure across the mesoporous range and tie pore architecture to performance in both gas-storage and -separation applications. Collectively, these results represent a substantial step in the practical applicability of COFs and other mechanically weak porous materials.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗