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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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All sourcesNASA NTRSDOE OSTI
DOE OSTI2018

HIGH-STRENGTH LIGHTWEIGHT ENGINES FOR HEAVY-DUTY DIESEL TRUCKS

This project with Cummins supports the development of next generation heavy duty diesel engines that can achieve a 50% or better Break Thermal Efficiency (BTE). The fuel efficiency roadmap for the 50% BTE engine considers six main areas for efficiency improvement in the baseline engine, several of which involve making more efficient use of thermal energy (heat) in the engine. Increased operating temperatures and improved thermal management are expected to enable significant increases in $power$ $density$, thus resulting in greater power output for the same sized engine or engine downsizing (or light weighting) for the same power output. However, it has become apparent that several key components will be exposed to temperatures beyond the capabilities of current engine and exhaust materials, requiring the availability of the next generation of high temperature materials to allow the engine to reach the targeted efficiencies, commercially viable durability, and emission targets. The objective of this project was to identify and/or develop key materials, and evaluate their critical properties to enable the design and development of a lightweight, higher efficiency engine, with enhanced temperature capability and reduced heat-loss to the atmosphere in order to facilitate waste heat recovery and improved efficiency. An increase in the temperature capability of exhaust manifold materials, and piston materials were identified as having a positive influence on the efficiency of the next generation diesel engines. Since the current materials (High SiMo cast irons used in exhaust manifolds, and 4140 steel in pistons) are already operating near their limits of their temperature and strength capabilities, it was determined that new materials with the right combination of properties are required for these components. Oxidation and constrained thermal fatigue tests were used to down-select CF8C plus (CF8CP), a cast austenitic stainless steel, for exhaust manifolds capable of operating at higher temperatures. A prototype exhaust manifold was fabricated using CF8CP and successfully tested in a marine engine. A functionally graded multiple-layer thermal barrier coating system was designed with four layers of mixed bondcoat alloy (NiCoCrAlYHfSi) and yttria stabilized zirconia (YSZ) and was shown to reduce the effective thermal conductivity of the coating-substrate (steel and Ti-6Al-4V) system. The graded alloy and YSZ mixture were intended to achieve better match of thermal expansion coefficient (CTE) and minimize thermal stresses. Such coatings can increase the temperature capability of pistons fabricated from steel and Ti-alloys. Effect of oil additives and friction conformal contact friction tests showed there was a 15-30% reduction in friction by the polymer-graphite composite coating compared to the uncoated steel piston. Standalone Mn-P coating had little beneficial impact. Changing the oil from CJ-4 to PC-11 had little impact on the friction behavior in boundary lubrication. Wear behavior was tested under a point contact configuration with a high contact pressure. The candidate CK-4 oil showed similar or slightly better lubricity compared to the CJ-4 oil while the candidate FA-4 oil decisively increased the piston skirt wear. Although both coatings prevented scuffing failure observed for the uncoated steel skirt in a base oil without an additive package, they surprisingly caused a higher piston wear rate when tested in any of the fully formulated engine oil. The detrimental impact was attributed to the Mn-P film, either as a standalone coating, or a coating interlayer. The porous and brittle Mn-P film was broken during the wear test and the released hard Mn-P grains are suspected to cause third-body abrasion to accelerate the wear process. This work also evaluated the feasibility of developing an improved high temperature, low mass, cost-neutral turbocharger compressor wheel for heavy-duty engine applications from TiAl using additive manufacturing, utilizing its unique ability to fabricate high strength, low weight structures. This work has shown that the phase transforming nature of the TiAl alloys enable obtaining equiaxed microstructures in the as-built state without the need for tedious beam parameter manipulations. The HIPed structures have good RT tensile properties that will enable them to be surface machined to the required tolerance that can 2 then be heat treated to obtain the desired microstructures. Additionally, the negligible residual stresses stemming from the high build chamber temperatures ensure the parts are formed without cracks (one of the major issues in traditional manufacturing of these intermetallics).

33 ADVANCED PROPULSION SYSTEMS↗
DOE OSTI2025

Innovative Nuclear Materials Outboard-A Project Specimen Preparation Guide

The Innovative Nuclear Materials (INM) Program was recently established by the U.S. Department of Energy (DOE) to develop advanced material technologies for use in nuclear reactors. The INM program is presently focused on researching in-core non-fueled materials for application in fast spectrum nuclear reactors. The widespread deployment of fast reactors continues to be a prominent aspiration for advanced nuclear technology developers. However, companies working to license these reactors have no choice but to rely on historic material technologies since further optimization and advancement of these materials is impeded by the lack of fast neutron irradiation test facilities. INM-OA is a non-fueled drop-in experiment which will irradiate material specimens of interest to fast reactor applications. This experiment will be irradiated at Idaho National Laboratory (INL) in the Advanced Test Reactor (ATR) outboard-A (OA) position during normal and high temperature steady state (HTSS) cycles. It will include material specimens supplied by members of the INM program and will utilize a cadmium-lined basket to filter out incident thermal neutrons, thus simulating a faster neutron energy spectrum. Material specimens will undergo post-irradiation examination including microscopy and mechanical testing. In addition to absorption reactions, fast neutrons cause microstructural damage in materials by atom displacement, which can cause exacerbated changes in physical properties and behavior. Thus, the data obtained from the INM-OA experiment will be crucial for understanding the engineering-scale behavior of reactor materials. This document is intended for the Principal Investigators providing samples for this project. Topics included are a general description of the experiment, the irradiation experiment/capsule design, sample geometries, number of samples to be provided, documentation to be provided, a brief list potentially useful characterization methods that can be leveraged at INL, and other miscellaneous requirements specific to this project. This document is intended for informational use only.

innovative nuclear materials↗
DOE OSTI2021

The Fundamental Creep Behavior Model of Gr.91 Alloy by ICME Approach (Final Report)

The current project mainly focused on the fundamental creep cracking mechanism of the Grade 91 system during the operation conditions in the advanced technologies FE power plants and build the link among Composition-Processing Parameters-Phase Stability-Microstructure-Creep Resistance. A model based on computational thermodynamics and diffusion kinetics will be developed to provide guidance on how to improve the creep resistance of the alloy system. The PI mainly investigate the Gr.91 base alloy and weldment with the Integrated Computational Materials Engineering (ICME) approach. The long-term goal of the proposed program is to develop a model for creep and fatigue resistant alloys with different elemental systems, compositions, and processing parameters of weldment and heat-treatment. In addition, new creep and fatigue resistant alloys are to be designed based on the predictions from the model. The computational as well as experimental results include three sections: 1) The compositional optimization and secondary phases evaluation regarding the creep resistance in Grade 91 steel through the CALPHAD approach. In this section, the formation of the critical secondary phases, M23C6, MX and Z-phase were well predicted based on many conditions like the temperature as well as compositions. Meanwhile, the role of different alloying elements was also considered as they will directly affect the formation of the secondary phases mentioned above based on the compositional evolution of the alloying elements. 2) An investigation of Creep Resistance in Grade 91 Steel through Computational Thermodynamics. We systematically considered the evolution of the four critical temperatures, Ac3, Ac1, the threshold of M23C6 and Z-phase, on basis of the computational approach. Meanwhile, the equilibrium cooling as well as Scheil simulations were also considered to perform further predictions based on the different cooling rates. 3) Creep lifetime and microstructural evolution of the Grade 91 steel. In this part, mainly experimental approach was performed on the real creep test from the beginning of the commercial Gr.91 alloys. The alloys were normalized, tempered, welded (Gleeble) and PWHT and finally subjected to the creep lifetime analyses. Finally, all the samples after each process were further characterized based on the OM, XRD and SEM technique to draw final conclusions.

01 COAL, LIGNITE, AND PEAT↗
DOE OSTI2022

BISON Capability to Account for Dopant Sensitivity in Relevant UO 2 Material Models

The U.S. Department of Energy’s Nuclear Energy Advanced Modeling and Simulation program aims to develop predictive capabilities using computational methods for the analysis and design of advanced reactor and fuel cycle systems. This program has been supporting the development of BISON, a high-fidelity and high-resolution fuel performance tool at the engineering scale. Incorporation of more physics-based models in BISON for the accident tolerant fuel applications motivated this study. This document details integration of new modeling capabilities in BISON, including: a tensile strength model for uranium dioxide (UO 2 ) fuel to incorporate the microstructural effects (e.g., grain size, fabrication pore size, and porosity), and atomistic-informed creep model for UO 2 fuel that is developed by Los Alamos National Laboratory. Sensitivity analyses are conducted on these models separately as well as a two-dimensional full rod application under normal operating conditions. Lastly, these new modeling capabilities in BISON are exercised in Halden IFA-677.1 and IFA-716.1 assessment cases.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2023

Engineering Redox Flow Battery Electrodes with Spatially Varying Porosity Using Non‐Solvent‐Induced Phase Separation

Redox flow batteries (RFBs) are a promising electrochemical platform for efficiently and reliably delivering electricity to the grid. Within the RFB, porous carbonaceous electrodes facilitate electrochemical reactions and distribute the flowing electrolyte. Tailoring electrode microstructure and surface area can improve RFB performance, lowering costs. Electrodes with spatially varying porosity may increase electrode utilization and provide surface area in reaction‐limited zones; however, the efficacy of such designs remains an open area of research. Herein, a non‐solvent‐induced phase‐separation (NIPS) technique that enables the reproducible synthesis of macrovoid‐free electrodes with well‐defined across‐thickness porosity gradients is described. The monotonically varying porosity profile is quantified and the physical properties and surface chemistries of porosity‐gradient electrodes are compared with macrovoid‐containing electrode, also synthesized by NIPS. Then, the electrochemical and fluid dynamic performance of the porosity‐gradient electrodes is evaluated, exploring the effect of changing the direction of the porosity gradient and benchmarking against the macrovoid‐containing electrode. Lastly, the performance is examined in a vanadium RFB, finding that the porosity‐gradient electrode outperforms the macrovoid electrode, is independent of gradient direction, and performs favorably compared to advanced electrodes in the contemporary literature. It is anticipated that the approach motivates further exploration of microstructurally tailored electrodes in electrochemical systems.

25 ENERGY STORAGE↗
DOE OSTI2022

Correlating dislocation structures to basal and prismatic slip bands near grain boundaries in tensile-tested Mg–4Al using a multiscale electron microscopy approach

Dislocation structures where basal and prismatic slip bands meet grain boundaries in tensile-tested Mg with 4 wt% Al (Mg–4Al) were studied using a multiscale electron microscopy approach to explore the assumptions made for the dislocation pileup theory: a) slip bands consist of dislocation arrays piling up near grain boundaries, and b) stress concentration in the adjacent grain is solely caused by dislocation pileup. After post-testing electron backscatter diffraction (EBSD) scans, focused-ion-beam (FIB) lift-out specimens were prepared from regions of interest so that the specimen plane is parallel to the bulk sample surface to allow for direct correlation between mesoscale and microscale characterization. High dislocation density and the dislocation arrays in the slip bands corroborated with the first assumption. Evidence of plastic deformation in all grains, however, showed that the second assumption was false. Additionally, dislocation structures including crystal rotation boundaries and dislocations dissociating to the basal plane provide additional stress relief mechanisms near grain boundaries that are not accounted for in many crystal plasticity models, which requires auxiliary models to more accurately predict the stress and strain distribution in a microstructure.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Investigation of the yielding transition in concentrated colloidal systems via rheo-XPCS

We probe the microstructural yielding dynamics of a concentrated colloidal system by performing creep/recovery tests with simultaneous collection of coherent scattering data via X-ray Photon Correlation Spectroscopy (XPCS). This combination of rheology and scattering allows for time-resolved observations of the microstructural dynamics as yielding occurs, which can be linked back to the applied rheological deformation to form structure–property relations. Under sufficiently small applied creep stresses, examination of the correlation in the flow direction reveals that the scattering response recorrelates with its predeformed state, indicating nearly complete microstructural recovery, and the dynamics of the system under these conditions slows considerably. Conversely, larger creep stresses increase the speed of the dynamics under both applied creep and recovery. The data show a strong connection between the microstructural dynamics and the acquisition of unrecoverable strain. By comparing this relationship to that predicted from homogeneous, affine shearing, we find that the yielding transition in concentrated colloidal systems is highly heterogeneous on the microstructural level.

42 ENGINEERING↗
DOE OSTI2019

Safety Testing and Destructive Examination of AGR-2 UCO Compact 6-4-3

Post-irradiation examination (PIE) and elevated-temperature safety testing are being performed on tristructural-isotropic (TRISO) coated-particle fuel compacts from the Advanced Gas Reactor (AGR) Fuel Development and Qualification Program’s second irradiation experiment (AGR-2). Details on this irradiation experiment have been previously reported. The AGR-2 PIE effort builds upon the understanding acquired throughout the AGR-1 PIE campaign (Demkowicz et al. 2015) and is establishing a database for the different AGR-2 fuel designs. The AGR-2 irradiation experiment included TRISO fuel particles coated at BWX Technologies (BWXT) with an engineering-scale coater, which had a coating chamber 150 mm in diameter. Two coating batches were tested in the AGR-2 irradiation experiment. Batch G73H-10-93085B had uranium dioxide (UO2) kernels with an average diameter of 508 µm. Batch G83J-14-93073A had UCO kernels with an average diameter of 427 µm; in this kernel design, some of the uranium oxide is converted to uranium carbide during fabrication to provide a getter for oxygen liberated during fission and to limit CO production. Fabrication and property data for the AGR-2 coating batches have been compiled and compared to AGR-1. The AGR-2 TRISO coatings were most like the AGR-1 Variant 3 TRISO deposited in the Oak Ridge National Laboratory (ORNL) laboratory-scale coater, which had a coating chamber 50 mm in diameter (Hunn and Lowden 2006). In both cases, the hydrogen and methyltrichlorosilane coating gas mixture that was used to deposit the SiC was diluted with argon to produce a finer grained, more equiaxed SiC microstructure. In addition to the fact that AGR-1 fuel had smaller UCO kernels that were 350 µm in diameter, other notable differences in the TRISO particle properties included (1) the pyrocarbon anisotropy, which was slightly higher in the particles coated in the engineering-scale coater, and (2) the exposed kernel defect fraction, which was higher for AGR-2 fuel due to the detected presence of particles with impact damage that was introduced during TRISO particle handling.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2019

Safety Testing and Destructive Examination of SGR-2 UCO Compact 2-1-2

Post-irradiation examination (PIE) and elevated-temperature safety testing are being performed on tristructural-isotropic (TRISO) coated-particle fuel compacts from the Advanced Gas Reactor (AGR) Fuel Development and Qualification Program’s second irradiation experiment (AGR-2). Details on this irradiation experiment have been previously reported. The AGR-2 PIE effort builds upon the understanding acquired throughout the AGR-1 PIE campaign and is establishing a database for the different AGR-2 fuel designs. The AGR-2 irradiation experiment included TRISO fuel particles coated at BWX Technologies (BWXT) with an engineering-scale coater, which had a coating chamber 150 mm in diameter. Two coating batches were tested in the AGR-2 irradiation experiment. Batch G73H-10-93085B had uranium dioxide (UO2) kernels with an average diameter of 508 µm. Batch G83J-14-93073A had UCO kernels with an average diameter of 427 µm; in this kernel design, some of the uranium oxide is converted to uranium carbide during fabrication to provide a getter for oxygen liberated during fission and to limit CO production. Fabrication and property data for the AGR-2 coating batches have been compiled and compared to AGR-1. The AGR-2 TRISO coatings were most like the AGR-1 Variant 3 TRISO deposited in the Oak Ridge National Laboratory (ORNL) laboratory-scale coater, which had a coating chamber 50 mm in diameter (Hunn and Lowden 2006). In both cases, the hydrogen and methyltrichlorosilane coating gas mixture that was used to deposit the SiC was diluted with argon to produce a finer grained, more equiaxed SiC microstructure. In addition to the fact that AGR-1 fuel had smaller UCO kernels that were 350 µm in diameter, other notable differences in the TRISO particle properties included (1) the pyrocarbon anisotropy, which was slightly higher in the particles coated in the engineering-scale coater, and (2) the exposed kernel defect fraction, which was higher for AGR-2 fuel due to the detected presence of particles with impact damage that was introduced during TRISO particle handling.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2025

Chromium-doped uranium dioxide fuels: A review

UO 2 doped with parts per million CR 2 O 3 powder is considered a potential near term accident tolerant fuel candidate. Here, the results of decades of industry and academic research into Cr-doped UO 2 are analyzed and their shortcomings are critiqued. Focusing on the incorporation mechanisms of Cr into the fuel matrix, we explore a mechanistic understanding of the characteristic properties of Cr-doped UO 2 , notably, enhanced fission gas retention attributed to enlarged grain sizes following sintering, along with marginal improvements in the thermophysical properties. The findings of recent X-ray Adsorption Near Edge Spectroscopy studies were compared and put into conversation with historic data regarding the incorporation of Cr in UO 2 . On the basis of defect mechanisms, the case is made for the substitutional incorporation of Cr governing the lattice solubility but not the enhanced U diffusivity. Instead, Cr/CR 2 O 3 redox chemistry in a well-defined oxygen potential explains the differences in the U diffusivity and O/M ratio. The primary mechanism of doping enhanced grain growth is found to be liquid assisted sintering due to a CRO (1) eutectic phase at the grain boundaries. The role of inhomogeneities in Cr concentration in UO 2 at various length scales across the materials microstructure is highlighted and connected to promising experimental and modeling work to fill in the gaps in the current understanding of Cr-doped UO 2 . The review considers both the open scientific questions and engineering applications to illustrate the deep connections between the practice and theory in the design of accident tolerant nuclear fuels. In conclusion, the review ends with an outline of future works that combine meticulous irradiation studies and high resolution experiments with next generation modeling and simulations techniques empowered by machine learning advances to accelerate the fabrication and adoption of Cr-doped UO 2 light water reactors.

Cleveland, Mack Wesley [Massachusetts Inst. of Tec↗
DOE OSTI2022

Effect of the grain arrangements on the thermal stability of polycrystalline nickel-rich lithium-based battery cathodes

One of the most challenging aspects of developing high-energy lithium-based batteries is the structural and (electro)chemical stability of Ni-rich active cathode materials at thermally-abused and prolonged cell cycling conditions. Here, we report in situ physicochemical characterizations to improve the fundamental understanding of the degradation mechanism of charged polycrystalline Ni-rich cathodes at elevated temperatures (e.g., ≥ 40 °C). Using multiple microscopy, scattering, thermal, and electrochemical probes, we decouple the major contributors for the thermal instability from intertwined factors. Our research work demonstrates that the grain microstructures play an essential role in the thermal stability of polycrystalline lithium-based positive battery electrodes. We also show that the oxygen release, a crucial process during battery thermal runaway, can be regulated by engineering grain arrangements. Furthermore, the grain arrangements can also modulate the macroscopic crystallographic transformation pattern and oxygen diffusion length in layered oxide cathode materials.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Tuning martensitic transformations via coherent second phases in nanolaminates using free energy landscape engineering

In this work we explore the possibilities and limitations of using a coherent second phase to engineer the thermo-mechanical properties of a martensitic alloy by modifying the underlying free energy landscape that controls the transformation. We use molecular dynamics simulations of a model atomistic system where the properties of a coherent, nanoscale second phase can be varied systematically. With a base martensitic material that undergoes a temperature-induced transformation from a cubic austenite to a monoclinic martensite, simulations show significant ability to engineer the transformation temperatures, from a ~50% reduction to a ~200% increase, with 50 at.% of the cubic second phase. We establish correlations between the properties of the second phase, the transformation characteristics, and the microstructure via the free energy landscape of the twophase systems. Coherency stresses have a strong influence on the martensitic variants observed and can even cause the non-martensitic second phase to undergo a transformation. Reducing the stiffness of the second phase increases the transformation strain and modifies the martensitic microstructure, increasing the volume fraction of the transformed material. This increase in transformation strain is accompanied by a significant increase in Af and thermal hysteresis, while Ms remains unaltered. Our findings on the tunability of martensitic transformations can be used for informed searches of second phases to achieve desired material properties, such as achieving room temperature, lightweight shape memory alloys.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Achieving high-ZT in Te/Se-based thermoelectric materials via volume-constrained shear-induced plastic deformation

This study investigated the correlation between severe plastic deformation and microstructural evolution, along with the corresponding response in the thermoelectric performance. Specifically, severe plastic deformation introduced into intrinsically brittle thermoelectric materials like Bi 2 Te 3 - x Se x leads to microstructural changes ranging from nano- to micro- scales, including phase transformation, phase segregation, and stacking faults. The resultant residual strain and lattice defects in the Bi 2 Te 3-x Se x materials led to engineering of electronic bands, which increases the effective mass of electrons while controlling their concentration, thereby enhancing the power factor.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Determination of Location-Specific Solidification Cracking Susceptibility for a Mixed Dissimilar Alloy Processed by Wire-Arc Additive Manufacturing

Solidification cracking is a major obstacle when joining dissimilar alloys using additive manufacturing. In this work, location-specific solidification cracking susceptibility has been investigated using an integrated computational materials engineering (ICME) approach for a graded alloy formed by mixing P91 steel and Inconel 740H superalloy. An alloy mixture of 26 wt.% P91 and 74 wt.% Inconel 740H, with high configurational and total entropy, was fabricated using wire arc additive manufacturing. Microstructure characterization revealed intergranular solidification cracks in the FCC matrix, which increased in length along with the enrichment of Nb (~27 to 56 wt.%) and Cu (~87 wt.%) in the middle and top regions. DICTRA simulations to model location-specific solidification cracking susceptibility showed that the top region with the highest cooling rate (270 K/s) has the highest solidification cracking susceptibility in comparison with the middle and bottom regions. This is in good agreement with the experimentally observed varying crack length. From Scheil simulations, it was deduced that enrichment of Nb and Cu affected the solidification range as high as ~77%, in comparison with the matrix composition. The overall solidification cracking susceptibility and freezing range was highest for the 26 wt.% P91 alloy amongst the mixed compositions between P91 steel and 740H superalloy, proving that solidification characteristics play a major role in alloy design for additive manufacturing.

20 FOSSIL-FUELED POWER PLANTS↗
DOE OSTI2018

Low-Cost Titanium Casting Technology

This is the final report of "Low-Cost Titanium Casting Technology" project. Titanium alloys have attracted increasing attentions as structural materials for high performance and weight-sensitive applications in aerospace and biomedical fields. However, in mass-production of civil applications like automotive components, titanium alloys are scarcely used due to the unaffordable costs in manufacturing compared with other metallic materials, such as aluminum, magnesium and steel. Therefore, there is a need to reduce the manufacturing cost of titanium alloys so that titanium alloys can be more competitive in terms of property and cost considerations. In this 4-year project, we started from exploring new low-cost titanium alloy systems with the guidance of Integrated Computational Materials Engineering – Calculation of Phase Diagram (ICME-CALPHAD) framework, and determined several promising alloy systems, alloying elements including Ti-Al-Fe-Mn-B-C, that can allow further development (lab-scale and industry-scale) in the future. During the new alloy system exploration, considerable amount of scientific work was completed regarding CALPHAD modeling, microstructure morphology, mechanical properties, and processing of the new alloy systems. The relevant ternary titanium alloy systems, Ti-Al-Mn and Ti-Al-Fe, were examined and reassessed both computationally and experimentally, leading to more comprehensive understanding of these alloy systems. Based on this above study, a new low-cost casting titanium alloy was developed, Ti-6Al-5Fe-0.05B-0.05C (designated as T65-0.05BC), which has competitive as-cast strength level with current commercial titanium alloys but relatively low ductility. However, in this project, since the target application, automotive engine connecting rod, is a fatigue-limited component and does not require high ductility, this alloy shall suffice as the deliverable alloy in this project. After designing and confirming the potent of the new alloy, we designed and built a lab-scale manufacturing equipment aided by computational tools at OSU labs to conceptually prove that this alloy can be manufactured with permanent mold casting, which is low-cost and potentially a mass production process. We produced a lab-scale prototype connecting rod demonstrating the capability of permanent mold casting of this new alloy.

36 MATERIALS SCIENCE↗