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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 937 records · Page 52
All sourcesNASA NTRSDOE OSTI
DOE OSTI2022

Towards underwater additive manufacturing via additive friction stir deposition

Given the challenges in feed material supply and quality control, metal additive manufacturing has rarely been implemented in austere environments, especially underwater. This paper explores the underwater operation potential of an emerging solid-state additive technology: additive friction stir deposition, wherein material feeding and bonding are enabled by mechanical forces with minimal influences from water. It is demonstrated that additive friction stir deposition of 304 stainless steel can be successfully performed with the print head and substrate immersed in water. High temperature is reached in the deposition zone (>60% melting temperature); the material deposition behavior is similar to that in typical open-air operation. The as-deposited material is fully-dense, having fewer annealing twins and a substantially smaller grain size than the feed material (4.98 μm vs. 31.44 μm ). Such microstructural changes stem from dynamic recrystallization caused by the large strain and high temperature introduced during deposition. In addition to grain refinement, small equiaxed dispersoids (~2–3 μm or less) are formed and evenly distributed in the austenite steel matrix. Rich in Cr, Mn, and O, these particles likely result from the reaction between the elements in stainless steel and water at elevated temperatures.

16 TIDAL AND WAVE POWER↗
DOE OSTI2020

A Revisited Mechanism of the Graphite-to-Diamond Transition at High Temperature

The graphite-diamond transition, under high-pressure and high-temperature conditions, has been a central subject in physical science. However, its atomistic mechanism remains under debate. Employing large-scale molecular dynamics (MD) simulations, we report a mechanism whereby the diamond nuclei in the graphite matrix propagate in two preferred directions, among which the graphite [120] is about 2.5 times faster than [001]. Consequently, cubic diamond (CD) is the kinetically favorable product, while only a few hexagonal diamonds (HDs) can exist as the twins of CDs. The coherent interface of t-(100)gr//(11-1)cd + [010]gr//[1-10]cd observed in MD simulation was confirmed by our high-resolution transmission electron microscopy experiment. This proposed mechanism not only clarifies the role of HD in graphite-diamond transition but also yields atomistic insight into strengthening synthetic diamond via microstructure engineering.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Directional amorphization of covalently-bonded solids: A generalized deformation mechanism in extreme loading

Shock compression subjects materials to a unique regime of high quasi-hydrostatic pressure and coupled shear stresses for durations on the order of 1–10 nanoseconds for laser-driven loading of samples. There is, additionally, an attendant temperature increase due to the shock and the mechanisms of plastic deformation in metals whereby dislocations, twins, and phase transitions nucleate and propagate at velocities near the sound speed. Covalently bonded materials have, by virtue of the directionality of their bonds, great difficulty in responding by conventional plastic deformation to this extreme regime of shock compression. Here, we propose that the shear from shock compression induces amorphization, as observed in Si, Ge, B4C, SiC, and olivine ((Mg, Fe) 2 SO 4 ) and that this is a general deformation mechanism in a broad class of covalently bonded materials. The crystalline structure transforms to amorphous along regions of maximum shear stress, forming nanoscale bands, and thereby relaxing the shear component of the imposed shock stress. This process is usually preceded by the emission and propagation of a critical concentration of dislocations.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Heterogeneous microstructural evolution during hydrodynamic penetration of a high-velocity copper microparticle impacting copper

Microparticle hydrodynamic penetration (HDP) may be associated with the erosion regime in cold spray processing and other high-velocity impact events. Here, in an experimental approach where we can individually launch particles and study the impact sites, we explore copper microparticles impacted on copper substrates at velocities above 900 m/s where HDP begins. We lift cross-sectional lamellae from the impact sites with a focused-ion beam for further microstructural characterization using electron backscatter diffraction and scanning transmission electron microscopy. Due to the gradients of strain, strain rate, and temperature associated with HDP, heterogeneous microstructures result. The structural evolution processes observed include deformation twinning and multiple dislocation-mediated grain recrystallization mechanisms—geometric dynamic recrystallization (gDRX), discontinuous DRX (dDRX), and meta DRX (mDRX). The higher strains at the interface lead to the most significant structural changes and complex mechanisms. In contrast, there is a gradient to more conventional dislocation plasticity away from the interface (on either the particle or substrate side). Here, these microstructural observations are consistent with the deformation map for copper and extend the observations of impact-induced recrystallization across new regimes of behavior.

Cold spray process↗
DOE OSTI2024

Mapping TpPa-1 covalent organic framework (COF) molecular interactions in mixed solvents via atomistic modeling and experimental study

Complex solvent environments continue to limit the widespread adoption of organic solvent nanofiltration (OSN) in many chemical industry applications. In this paper we employ a commercially available covalent organic framework (COF), TpPa-1, and force field models to molecularly map separation performance of TpPa-1 membrane in mixed solvents. To minimize time and length scale mismatch between atomistic modeling and experiments, solvent permeance was normalized with water in modeling and experimental results to enable direct comparison. Model outputs, such as organic solvent permeance and solute rejection rate, matched well with filtration results. Since the atomistic models assume that all mass transfer is via through-pore transport, the discrepancies between modeling and experimental results provide insights on the effect of linear polymer defects, adsorption and interstitial mass transfer on polycrystalline COF membrane performance. In sum, force field models can serve as digital twins of COF membranes to simulate separation processes while capturing the effects of COF structure, chemistry, and crystallinity on membrane performance in complex organic solvent environments. Finally, this approach will provide insight into future COF design and synthesis for persisting separation challenges.

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

Structured light scanning artifact-based performance study

Structured light scanning is used to create a digital twin of a manufactured part, where features are extracted to determine if the part meets the designer’s intent and required tolerances. This paper describes repeatability and reproducibility analyses for a commercially-available structured light scanning system and measurement artifact. The repeatability study used five repeated scans at 15 measurement positions. Repeatability was assessed by randomly selecting one of the five scans at each of the 15 positions and creating a part mesh. This process was performed 50 times and the statistics for the dimension variations were calculated to isolate the scanning effects only. The same sequence was then performed for 10 of the 15 positions and five of the 15 positions to evaluate the repeatability sensitivity to the number of measurement positions. Reproducibility was assessed by selecting 15 positions to create a mesh and repeating the 15-position measurement sequence 10 times using different positions for each mesh construction. The statistics for the dimension variations were then calculated. This incorporated the effects of both scanning and the position and orientation of the part relative to the scanner. This sequence was repeated for 10-position and five-position scans to evaluate the corresponding sensitivity. Finally, the artifact dimensions from structured light scanning were compared to coordinate measuring machine measurements of the same features.

42 ENGINEERING↗
DOE OSTI2020

Notch-tensile behavior of Al0.1CrFeCoNi high entropy alloy

Notch-tensile behavior of an Al0.1CrFeCoNi high entropy alloy (Al0.1-HEA) was studied using V-notch geometry and with local strain mapping using digital image correlation (DIC). A notch-strength ratio of 1.51 indicated notch strengthening. Further analysis of stress-strain response supplemented with microstructural analysis revealed that, while the presence of notch results in strengthening due to work hardening by twinning induced plasticity, the notch also contributes strongly to geometrical softening in the non-uniform ductility regime, and accounts for the onset of failure. The strain localization behavior of Al0.1-HEA due to the presence of V-notch was compared with three conventional alloys: Inconel 625 nickel-based superalloy, 304 stainless steel and Ti–6Al–4V titanium alloy. The study revealed that the nature of notch widening with increasing strain was dependent on material characteristics. The extent of notch widening impacted the local strain field and stress distribution, thereby influencing the propensity for crack initiation and growth. The experimental results were verified by finite element analysis.

Sinha, Subhasis↗
DOE OSTI2022

Strain-rate dependent deformation mechanisms in single-layered Cu, Mo, and multilayer Cu/Mo thin films

Here, strain-rate sensitivity and rate-dependent hardness, over a range of 10 -2 to 10 2 s -1 , of sputter-deposited single-layered Cu, Mo, and 5 nm Cu/ 5 nm Mo, and 100 nm Cu/ 100 nm Mo multilayer films with a total film thickness of 5 μm were measured using nanoindentation. The plastic zone underneath the nanoindents was characterized via cross-sectional transmission electron microscopy (XTEM). The multilayer films exhibited enhanced hardness but slightly reduced strain-rate sensitivity with decreasing layer thickness from 100 nm to 5 nm. Only the 5 nm Cu/ 5 nm Mo multilayer film exhibited shear bands underneath the nanoindents, and the size of the shear bands increased with increasing strain rate. In contrast, the 100 nm Cu/ 100 nm Mo multilayer film exhibited material pile-up around the indents and significant nanotwinning within Cu grains. The effect of strain rate and layer thickness on the hardness and strain rate sensitivity of the multilayer thin films is interpreted using a modified confined layer slip (CLS) model. The reduced rate sensitivity at 5 nm as compared to 100 nm correlates with abundant growth nanotwins in the Cu grains in 100 nm and formation of shear bands in 5 nm multilayers. In single layer films, a substructure with a high density of dislocations was observed consistent with the plastic strain gradient in the indent plastic zone. No evidence of deformation twins was noted in any of the samples.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Effect of Re and Al additions on the microstructure and mechanical properties of Nb-18Ti-12W alloy

Microstructure and mechanical properties at 25–1200 °C of new refractory alloys, Nb-18Ti-12W (NTW), Nb-18Ti-12W-5Re (NTW-R) and Nb-18Ti-12W-5Re-1Al (NTW-RA), all compositions are in atomic percent, are reported. The alloys are developed as an alternative to a denser, more expensive and difficult-to-process refractory alloy WC-3009. After production by arc melting and hot isostatic pressing at 1400 °C, 207 MPa for 3 h, the alloys have a BCC crystal structure with the average grain size of ~150–200 μm and contain low volume fraction of (Ti,N)-rich precipitates near grain boundaries. NTW shows excellent malleability at all studied temperatures. Its yield stress at 25 °C, 1000 °C and 1200 °C is 874 MPa, 353 MPa and 202 MPa, respectively. The NTW-R and NTW-RA alloys are stronger at all the studied temperatures; however, they lack in compression ductility at 25 °C. As a result, extensive deformation twinning and formation of intergranular voids precede the fracture of these two alloys at 25 °C.

36 MATERIALS SCIENCE↗
DOE OSTI2023

A lightweight Fe–Mn–Al–C austenitic steel with ultra-high strength and ductility fabricated via laser powder bed fusion

Lightweight Fe–Mn–Al–C steels have become a topic of significant interest for the defense and automotive industries. These alloys can maintain high strength and ductility while also reducing weight in structural applications. Conventionally processed Fe–Mn–Al–C austenitic steels with high Al content (~9 wt%) demonstrate greater than 1.5 GPa strength with 35% elongation. Several recent studies have demonstrated success in fabricating steel parts using laser powder bed fusion (L-PBF) additive manufacturing (AM), which can generate near-net-shape components with complex geometries and is capable of local microstructural control. However, studies on L-PBF processing of Fe–Mn–Al–C alloys have focused on low Al content (<5 wt%) compositional regimes representing alloys that undergo transformation-induced plasticity (TRIP) and twinning-induced plasticity (TWIP). Here, in this study, we present the effects of L-PBF processing on the microstructure and mechanical properties of an Fe–30Mn–9Al–1Si-0.5Mo-0.9C austenitic steel. A process optimization framework is employed to determine an ideal L-PBF processing space that will result in >99% density parts. Implementing this framework resulted in near-fully dense specimens fabricated over a broad range of process parameters. Additionally, two bi-directional scan rotation strategies (90° and 67°) were applied to understand their effects on texture and anisotropy in this material. As-printed specimens displayed considerable work-hardening characteristics with average strengths of up to 1.3 GPa and 36% elongation in the build direction. However, solidification microcracks oriented in the build direction resulted in anisotropy in tensile strength and ductility resulting in average strengths of 1.1 GPa and 20% elongation perpendicular to the build direction. The successful L-PBF fabrication of Fe–30Mn–9Al–1Si-0.5Mo-0.9C presented here is expected to open new avenues for weight reduction in structural applications with a high degree of control over part topology.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Chromium enhances the mechanical performance of 3d transition metal high entropy alloys

A comprehensive examination of the compositional effects on the deformation behavior of high entropy alloys (HEAs) was conducted through nanoindentation, indentation creep, and stress relaxation experiments at ambient temperature. The alloys investigated included NiCoFe, NiCoCr, NiCoCrFe, and NiCoCrFeMn, all of which underwent identical thermomechanical processing. From the experimental results, NiCoCr exhibited the highest maximum shear stress for dislocation nucleation (13 GPa) and nanoindentation hardness (3.8 GPa) among the alloys tested. It also showed the lowest stress sensitivity (0.02) and activation volume (3–4 b 3 ) under creep and stress relaxation conditions, indicative of its superior plastic flow properties. Density functional theory (DFT) calculations further revealed an uneven charge density and larger bonding-length variation in NiCoCr due to the presence of Cr, which increased lattice distortion, impeding dislocation movement. Furthermore, in this study, post-deformation microscopy using transmission electron microscopy (TEM) revealed a high density of stacking faults and twins in NiCoCr that effectively enhanced its creep strength. The results highlight the significance of specific elemental effects, particularly from Cr in this study, over configurational entropy effect (i.e., compositional complexity) in governing the deformation microstructure and mechanical properties of HEAs. Finally, these insights will be instrumental for the design and optimization of advanced alloys for load-bearing applications.

36 - MATERIALS SCIENCE↗
DOE OSTI2020

Texture and precipitation behavior of friction stir welded Inconel 825 alloy

The microstructure, texture pattern, and precipitation behavior of friction stir butt welded Inconel 825 alloy are highlighted here. The microstructure of bright regions and black-banded regions in the stir zone (SZ) is characterized by SEM, EBSD, and TEM with EDS. EBSD analysis justifies that the SZ exhibits a dynamic recrystallized structure. Grain boundary mapping corroborates the insignificant difference in the low- and high-angle grain boundaries fraction between the SZ, the thermo-mechanically affected zone, and the base metal. TEM analysis confirms the formation of nano twins and dispersion of nano-size precipitations in the grains, and at the grain boundaries as well. Grain refinement and nano-size precipitation formation in the SZ significantly enhanced both microhardness and tensile strength.

Das, Hrishikesh↗
DOE OSTI2026

Understanding the effect of friction stir processing on electrical steel: Microstructural changes and mechanical transformations

Raising Si beyond 3.5 wt% reduces core loss but embrittles electrical steels, constraining processing and application. Here we assess friction stir processing (FSP) as a solid‑state route to enable Fe–4.0 wt% Si with improved mechanical performance. Temperature‑controlled FSP with a PcBN tool produced a defect‑free processed zone. SEM/EBSD revealed dynamic recrystallization and grain refinement from an average 110 μm in the base material to ∼20 μm in the processed region, with ∼ 80% of grains < 40 μm and a reduction in high‑angle boundary fraction to ∼65% (vs >85% in the base). Comparative mechanical property analysis shows a moderate increase in yield strength in FSP samples relative to the base material, with a significant improvement in ductility (∼35–50%). Post‑fracture EBSD identified 60° twin boundaries in the base while sub-grain formation with elevated KAM in the FSP sample. Fractography revealed a shift from quasi‑cleavage in the Base-faceted planes with river patterns, steps, and occasional secondary cracks—to ductile micro void coalescence after FSP. Following FSP, the material retains soft‑magnetic behavior, with modest shifts in saturation magnetization consistent with grain refinement and stored strain, accompanied by a clear gain in formability. These results indicate that FSP provides a viable route to deploy higher‑Si electrical steels with concurrent gains in strength and ductility.

Electrical steel↗
DOE OSTI2023

Instrumentation for correlated prompt n – γ emission studies in coincidence with fission fragments

Recent theoretical and experimental results have brought renewed interest and focus on the topic of fission fragment angular momentum. Measurements of neutrons and rays in coincidence with fission fragments remain the most valuable tool in the exploration of fission physics. To achieve these scientific goals, we have developed a system that combines a state-of-the-art fission fragment detector and n – γ radiation detectors. A new twin Frisch-gridded ionization chamber has been designed and constructed for use with a spontaneous fission source and an array of forty trans-stilbene organic scintillators (FS-3) at Argonne National Laboratory. The new ionization chamber design we present in this work aims at minimizing particle attenuation in the chamber walls, and provides a compact apparatus that can be fit inside existing experimental systems. The ionization chamber is capable of measuring fission fragment masses and kinetic energies, whereas the FS-3 provides neutron and γ-ray multiplicities and spectra. Here, the details of both detector assemblies are presented along with the first experimental results of this setup. Planned event-by-event analysis and future experiments are briefly discussed.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2025

Machine learning for reactor power monitoring with limited labeled data

Real-time reactor power monitoring is critical for a variety of nuclear applications, spanning safety, security, operations, and maintenance. While machine learning methods have shown promise in monitoring reactor power levels, there is limited research on their efficacy in label-starved environments. The goal of this work is to assess the feasibility of classifying nuclear reactor power level using multisource data in scenarios with limited labels. Data were collected using low-resolution multisensors at four nuclear reactor facilities: two large research reactors and two TRIGA reactors. Within each pair, one reactor dataset served as the source and the other as the target in a transfer learning paradigm. Twenty-three supervised models were trained on labeled sequences of magnetic field and acceleration data from each of the target sites. Self-learning and transfer learning methods were applied to the top performing models to assess their classification performance with increasing amounts of labeled data. While reactor power level classification was achieved with a Matthews Correlation Coefficient of up to 0.739 ± 0.003 and 0.622 ± 0.009 with only 400 sequences per power state for the large research reactor and TRIGA target sites, respectively, self-learning and transfer learning leveraging source site data did not improve target classification performance. These findings suggest that alternative methods, such as higher sensitivity sensors, digital twins, or the use of physics-informed models, are required to enable high-performance classification in machine learning approaches to reactor monitoring with a dearth of target ground truth.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2021

Minimizing development costs for efficient many-core visualization using MCD3

Scientific visualization software increasingly needs to support many-core architectures. However, development time is a significant challenge due to the breadth and diversity of both visualization algorithms and architectures. With this work, we introduce a development environment for visualization algorithms on many-core devices that extends the traditional data-parallel primitive (DPP) approach with several existing constructs and an important new construct: meta-DPPs. We refer to our approach as MCD 3 — Meta-DPPs, Convenience routines, Data management, DPPs, and Devices. The twin goals of MCD 3 are to reduce developer time and to deliver efficient performance on many-core architectures, and our evaluation considers both of these goals. For development time, we study 57 algorithms implemented in the VTK-m software library and determine that MCD 3 leads to significant savings. For efficient performance, we survey ten studies looking at individual algorithms and determine that the MCD 3 hardware-agnostic approach leads to performance comparable to hardware-specific approaches: sometimes better, sometimes worse, and better in the aggregate. In total, we find that MCD 3 is an effective approach for scientific visualization libraries to support many-core architectures.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2023

Cyber threat assessment of machine learning driven autonomous control systems of nuclear power plants

We report advanced cyber-attacks against critical infrastructure and the energy sector are becoming more common. With the invention of autonomous control systems (ACS) within advanced nuclear reactor designs, system designers, reactor operators, and regulators must consider cybersecurity during the design and operational phases. This article provides a cyber threat assessment of machine learning (ML)-based digital twinning (DT) technologies in the context of advanced reactor ACS. A cyber–physical testbed was created to emulate nuclear reactor digital instrumentation and controls (I&C) and act as a basis for the ACS. The ACS was designed as two plant-level DTs predicting reactor malfunctions and determining control actions and two component-level DTs responsible for classifying component states and forecasting component inputs and outputs (I/O). Two duplicate ACS designs– one using a traditional ML framework and one using an automated ML (AutoML) framework– were created and tested against cyber-attacks on training data, real-time process data, and ML model architectures to determine their respective qualitative cyber-risk in terms of likelihood and impact. Both frameworks showed similar cyber-resilience against training, real-time, and ML architecture attacks, proving that neither is inherently more secure. Recommended safeguard and security measures are posed to system designers, reactor operators, and regulators to maintain the cybersecurity of ML-based DT technologies such as ACS, prompting a holistic view of shared responsibility for maintaining cyber-secure ML-based systems.

99 GENERAL AND MISCELLANEOUS↗
DOE OSTI2020

Experimental and modeling study of C2–C4 alcohol autoignition at intermediate temperature conditions

C2–C4 alcohols are advantageous blendstocks identified by many research groups, including the U.S. Department of Energy Co-Optima Initiative, towards enabling efficient, boosted Spark-Ignition (SI) engines. Their use in advanced engine applications requires a comprehensive understanding of their intermediate-temperature autoignition behavior. This work reports an experimental and modeling study covering their fundamental autoignition characteristics in a twin-piston rapid compression machine at pressures of 20 and 40 bar, intermediate temperatures from 750 to 980 K, and two fuel loading conditions representative of boosted SI engines. Direct comparison between these alcohols is made, where the order of reactivity is established across different thermodynamic and fuel loading conditions. Changes in preliminary exothermicity (or intermediate-temperature heat release) displayed in single-stage autoignition across different alcohols and conditions are also quantified. This provides insight into fuel-to-fuel differences, and how these could affect advanced combustion concepts such as spark-assisted compression ignition. Kinetic models are used to simulate the experiments, and reasonable agreement is obtained. Furthermore, the sensitivity analysis results demonstrate the importance of accurately capturing the autoignition kinetics, particularly H-abstraction reactions on the parent fuels by OH and HO 2 , and the branching ratio associated with these.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗