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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 55 records · Page 3
All sourcesNASA NTRSDOE OSTI
DOE OSTI2022

The effect of elastic anisotropy on the symmetry selection of irradiation-induced void superlattices in cubic metals

We report self-organized microstructures and patterns have been widely observed in non-equilibrium physical systems. In particular, irradiation in metals creates far-from-equilibrium environments, in which the competing dynamics of defect production and annihilation can lead to unique self-organized superlattice structures, e.g., void and gas bubble superlattices. From a physical point of view, the superlattice structures are dictated by the intrinsic symmetry breaking in the metals, i.e., anisotropy caused by the breaking of continuous rotational symmetry. In the literature, two distinctive anisotropies, elastic anisotropy and diffusion anisotropy of interstitials, have been proposed to be the origins of superlattice formation. However, it is still unclear which anisotropy dominates the symmetry selection of superlattice structures. In this paper, we study elastic anisotropy and its effect on the symmetry of void superlattices. By using theoretical analyses and phase field simulations, we show that elastic anisotropy in cubic metals can lead to either face-centered cubic or simple cubic superlattices depending on the Zener anisotropy ratio. The superlattices formed under this elastic anisotropy mechanism must form under the influence of spinodal decomposition, as the mechanism requires perturbations in the vacancy concentration field to develop into spatially-static concentration waves. We compare to existing work on symmetry selection in superlattices via diffusion anisotropy and to experimental observations, and we suggest that concentration wave development under the influence of elastic anisotropy is not the mechanism for symmetry selection during the formation of irradiation-induced void superlattices, but that diffusion anisotropy could be the dominant mechanism.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Mineral-Ground Micro-Fibrillated Cellulose Reinforcement for Polymer Compounds

Additive Manufacturing (AM) is quickly becoming a mainstream, energy efficient manufacturing technique for complex and custom components. ORNL has taken polymer AM into the next level with Big Area Additive Manufacturing (BAAM). However, we need to develop the strength of AM materials (specifically polymers) to satisfy the mechanical requirements of structural parts. Also, it is crucial that the developed process can easily be scaled up to have a significant impact in the manufacturing industry of US. Furthermore, renewable, bio-derived AM materials are desirable from a sustainability perspective. In the first phase of this project the mechanical properties of polymer AM components were significantly improved developing a micro fibrillated cellulose (MFC)-reinforced composite material system that is derived from biomass and compatible with BAAM. Unfortunately, the improvements were observed only with freeze-dried MFCs, and freeze-drying is a very slow process and is not industrially scalable. Furthermore, MFCs were not available in large quantities at low cost. However, FiberLean has reached 12,000 tons/year capacity (60,000 tons/year including the minerals). FiberLean offers MFCs at a scale and order of magnitude lower price than current market participants. With their recently developed novel (patent pending) drying process FiberLean can achieve over 50% solid content commercially. In the 2nd phase of the project, the original objective was to investigate this new novel drying process along with compounding with different formulations to optimize and adapt to large scale additive manufacturing. However, the compounded materials prepared via this approach were very brittle and demonstrated poor mechanical performance. Therefore, the project was focused more on a scalable chemical surface modification of MFCs to enable their drying via conventional oven process with minimal agglomeration and better dispersion in PLA polymer matrix. Fiberlean and ORNL have worked together in this project to develop mineral-ground microfibrillated cellulose (MFC) - reinforced additive manufacturing feedstock materials with significantly improved mechanical properties. Properly surface modified and dried Fiberlean cellulose microfibrils led to tensile strength increases up to ~40% and elastic modulus increases up to 70% with the addition of 30% MFC into PLA matrix. The work has led to a high impact journal article and a provisional patent. Opportunities for a follow up work to demonstrate the technology in large scale and application of it to AM applications are currently being searched.

36 MATERIALS SCIENCE↗
NASA NTRS1994

Microelectronics Instrument Products Shock and Vibration Electro-optics: C-Qualification Test Report

In this test report all measurements made during testing are recorded in ATP 20049 DS data sheets and are included in the log. The motor/encoder (henceforth referred to as the UUT) test sequence began with a baseline functional evaluation, which demonstrated that the motor satisfied the operating torque, cogging torque, winding resistance, and mechanical requirements of SOW. In addition, the encoder electrical requirements were verified, as well as the alignment of the encoder outputs relative tc, the motor shaft position. There were no discrepancies observed in this portion of the test. The UUT was then exposed to a number of environments, including thermal vacuum, thermal cycling, random and sine vibration, and mechanical shock. During the thermal environments, the performance of the UUT under load was verified at specified points in the cycles, as described in ATP 20049. In addition, the UUT was bench tested between the two thermal environments. No anomalies were observed during the thermal tests. The load attachment method was subsequently corrected, and vibration of S/N 0002 began while 0003 was being repaired.

Source record↗
NASA NTRS2012

Resin Systems and Chemistry-Degradation Mechanisms and Durability in Long-Term Durability of Polymeric Matrix Composites

In choosing a polymer-matrix composite material for a particular application, a number of factors need to be weighed. Among these are mechanical requirements, fabrication method (e.g. press-molding, resin infusion, filament winding, tape layup), and use conditions. Primary among the environmental exposures encountered in aerospace structures are moisture and elevated temperatures, but certain applications may require resistance to other fluids and solvents, alkaline agents, thermal cycling, radiation, or rapid, localized heating (for example, lightning strike). In this chapter, the main classes of polymer resin systems found in aerospace composites will be discussed. Within each class, their responses to environmental factors and the associated degradation mechanisms will be reviewed.

Hinkley, Jeffrey A.↗
NASA NTRS2016

Digital Image Correlation for Performance Monitoring

Evaluating the health of a mechanism requires more than just a binary evaluation of whether an operation was completed. It requires analyzing more comprehensive, full-field data. Health monitoring is a process of non-destructively identifying characteristics that indicate the fitness of an engineered component. In order to monitor unit health in a production setting, an automated test system must be created to capture the motion of mechanism parts in a real-time and non-intrusive manner. One way to accomplish this is by using high-speed video and Digital Image Correlation (DIC). In this approach, individual frames of the video are analyzed to track the motion of mechanism components. The derived performance metrics allow for state-of-health monitoring and improved fidelity of mechanism modeling. The results are in-situ state-of-health identification and performance prediction. This paper introduces basic concepts of this test method, and discusses two main themes: the use of laser marking to add fiducial patterns to mechanism components, and new software developed to track objects with complex shapes, even as they move behind obstructions. Finally, the implementation of these tests into an automated tester is discussed.

Palaviccini, Miguel↗
NASA NTRS2003

Numerical Modeling of Shatter Cones Development in Impact Craters

Shatter cones are the characteristic forms of rock fractures in impact structures. They have been used for decades as unequivocal fingerprints of meteoritic impacts on Earth. The abundant data about shapes, apical angles, sizes and distributions of shatter cones for many terrestrial impact structures should provide insights for the determination of impact conditions and characteristics of shock waves produced by high-velocity projectiles in geologic media. However, previously proposed models for the formation of shatter cones do not agree with observations. For example, the widely accepted Johnson-Talbot mechanism requires that the longitudinal stress drops to zero between the arrival of the elastic precursor and the main plastic wave. Unfortunately, observations do not support such a drop. A model has been also proposed to explain the striated features on the surface of shatter cones but can not invoked for their conical shape. The mechanism by which shatter cones form thus remains enigmatic to date. In this paper we present a new model for the formation of shatter cones. Our model has been tested by means of numerical simulations using the hydrocodes SALE 2D enhanced with the Grady-Kipp-Melosh fragmentation model.

Baratoux, D.↗
NASA NTRS2003

Testing the Equivalence Principle in an Einstein Elevator: Detector Dynamics and Gravity Perturbations

We discuss specific, recent advances in the analysis of an experiment to test the Equivalence Principle (EP) in free fall. A differential accelerometer detector with two proof masses of different materials free falls inside an evacuated capsule previously released from a stratospheric balloon. The detector spins slowly about its horizontal axis during the fall. An EP violation signal (if present) will manifest itself at the rotational frequency of the detector. The detector operates in a quiet environment as it slowly moves with respect to the co-moving capsule. There are, however, gravitational and dynamical noise contributions that need to be evaluated in order to define key requirements for this experiment. Specifically, higher-order mass moments of the capsule contribute errors to the differential acceleration output with components at the spin frequency which need to be minimized. The dynamics of the free falling detector (in its present design) has been simulated in order to estimate the tolerable errors at release which, in turn, define the release mechanism requirements. Moreover, the study of the higher-order mass moments for a worst-case position of the detector package relative to the cryostat has led to the definition of requirements on the shape and size of the proof masses.

Hubbard, Dorthy↗
NASA NTRS1974

Design of the Skylab MDA window

Description of the optical and structural design requirements, mechanical and thermal response analyses, final design features, and testing procedures employed in the development of a large window mounted on the earth-facing side of the multiple docking adapter (MDA) of the Skylab manned space vehicle. This window was designed for the S190 earth resources multispectral camera and was protected from the space environment during nonuse periods by a hinged cover operated from within the MDA. The camera required a viewing area approximately 43 by 58 cm. A single glass pane 4.1 cm thick was selected to minimize optical distortions. Heaters on the glass and frame were designed to control distortions caused by thermal gradients in the glass.

Trent, D. J.↗
DOE OSTI2021

The In Situ Ion Irradiation Toolbox: Time-Resolved Structure and Property Measurements

Abstract The dynamic interactions of ions with matter drive a host of complex evolution mechanisms, requiring monitoring on short spatial and temporal scales to gain a full picture of a material response. Understanding the evolution of materials under ion irradiation and displacement damage is vital for many fields, including semiconductor processing, nuclear reactors, and space systems. Despite materials in service having a dynamic response to radiation damage, typical characterization is performed post-irradiation, washing out all information from transient processes. Characterizing active processes in situ during irradiation allows the mechanisms at play during the dynamic ion-material interaction process to be deciphered. In this review, we examine the in situ characterization techniques utilized for examining material structure, composition, and property evolution under ion irradiation. Covering analyses of microstructure, surface composition, and material properties, this work offers a perspective on the recent advances in methods for in situ monitoring of materials under ion irradiation, including a future outlook examining the role of complementary and combined characterization techniques in understanding dynamic materials evolution.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Writing the Programs of Programmable Catalysis

It has long been known that non-steady state and periodic catalytic reactor operation in terms of temperature, pressure, and composition can lead to higher overall productivity and/or product selectivity than the best steady operation. Recently, the emergence of catalysts whose intrinsic properties can be made to oscillate with time, introduces advanced forcing capabilities that can be “programmed” into the catalysts to broaden the scope and applicability of periodic operation to surface chemistry. In this work, an algorithmic approach is implemented to significantly accelerate the discovery and optimization of periodic steady states of catalytic reactors. Decomposition of complex dynamics into fundamental mechanistic fast–slow steps is seen to improve conceptual understanding of the relationship between binding energy oscillation protocols and overall catalytic rates. Finding structured forcing protocols, optimally tailored to the multiple time scales of a given individual mechanism, requires an efficient search of high-dimensional parameter spaces. Here, this is enabled here through active learning (Bayesian optimization, enhanced by our proposed Bayesian continuation). Implementation of these methods is shown to accelerate the evaluation of catalyst programs by up to several orders of magnitude. Faster screening of programmable catalysts to discover periodic steady states enables the optimization of catalytic operating protocols and thus opens the possibility for catalyst engineering based on optimal forcing programs to control rate and product selectivity, even for complex multistep catalytic mechanisms.

catalysis↗
DOE OSTI2025

Combining Reactive Quantum-Mechanical Molecular-Dynamics Simulations with Mutagenesis, Crystallography, and Enzyme Kinetics to Reveal Plausible Steps of Isocyanide Hydratase Catalysis

A complete understanding of enzyme mechanisms requires atomistic details of chemical reactions. Quantum-based molecular dynamics simulations (QMD) are a potential source of this information, but trade-offs between accuracy and computational cost have limited their use. We previously developed extended Lagrangian Born–Oppenheimer molecular dynamics (XL-BOMD) methods that leverage a negligible compromise in accuracy to substantially decrease the cost of QMD simulations. Here, we develop a reactive QMD approach using the latest XL-BOMD formulation, which enables efficient simulations of highly reactive systems, and use it to investigate mechanisms of intermediate formation in isocyanide hydratase (ICH) catalysis. In QMD simulations, molecular analogs of ICH active site residues reacted with para-nitrophenyl isocyanide, forming a thioimidate. Analysis of simulated atomic configurational and charge dynamics revealed a pathway where protonation of the isocyanide carbon occurs prior to thioimidate formation and suggested a possible role of Asp17 as a proton donor in the early phase of ICH catalysis. To test whether the pathway seen using the reactive QMD approach might be relevant to ICH catalysis, we performed X-ray crystallography and pre-steady-state enzyme kinetics studies of wild-type and D17N mutant ICH. Both the structure and kinetics are sensitive to the D17N mutation in a manner that is consistent with the order of the reaction steps seen in the simulations. Mobile protons play essential roles in many enzymes, yet they are difficult to observe experimentally, making the ordering of proton-dependent steps ambiguous in many enzyme mechanisms. The ability to directly simulate model reactions for the design of experiments that provide information about enzyme mechanisms involving mobile protons demonstrates the significance of our reactive QMD approach and motivates further biological applications.

36 MATERIALS SCIENCE↗
NASA NTRS2010

The Role of Adaptation in Body Load-Regulating Mechanisms During Locomotion

Body loading is a fundamental parameter that modulates motor output during locomotion, and is especially important for controlling the generation of stepping patterns, dynamic balance, and termination of locomotion. Load receptors that regulate and control posture and stance in locomotion include the Golgi tendon organs and muscle spindles at the hip, knee, and ankle joints, and the Ruffini endings and the Pacinian corpuscles in the soles of the feet. Increased body weight support (BWS) during locomotion results in an immediate reorganization of locomotor control, such as a reduction in stance and double support duration and decreased hip, ankle, and knee angles during the gait cycle. Previous studies on the effect during exposure to increased BWS while walking showed a reduction in lower limb joint angles and gait cycle timing that represents a reorganization of locomotor control. Until now, no studies have investigated how locomotor control responds after a period of exposure to adaptive modification in the body load sensing system. The goal of this research was to determine the adaptive properties of body load-regulating mechanisms in locomotor control during locomotion. We hypothesized that body load-regulating mechanisms contribute to locomotor control, and adaptive changes in these load-regulating mechanisms require reorganization to maintain forward locomotion. Head-torso coordination, lower limb movement patterns, and gait cycle timing were evaluated before and after a 30-minute adaptation session during which subjects walked on a treadmill at 5.4 km/hr with 40% body weight support (BWS). Before and after the adaptation period, head-torso and lower limb 3D kinematic data were obtained while performing a goal directed task during locomotion with 0% BWS using a video-based motion analysis system, and gait cycle timing parameters were collected by foot switches positioned under the heel and toe of the subjects shoes. Subjects showed adaptive modification in the body load-regulating mechanisms that included increased head movement amplitude, increased knee and ankle flexion, and increased stance, stride, and double support time, with no change in the performance of the task with respect to that measured before exposure to BWS. These changes in locomotor control are opposite to that reported during 40% BWS exposure and indicative of an after-effect after removal of the adaptive stimulus. Therefore, it is evident that just 30 minutes of 40% BWS during locomotion was sufficient to induce adaptive modifications in the body load sensing systems that contribute to reorganization of sensory contributions to stable locomotor control.

Ruttley, Tara↗
DOE OSTI2022

New High-Strength Ni-based Alloys for High Temperature Service in Liquid Fluoride Salt Environments

The ever-increasing demand for higher system thermal efficiency necessitates the operation of power generation cycles and heat conversion systems for chemical processes at progressively higher temperatures. As the system operating temperature increases, fewer and fewer materials are available with the required mechanical properties and environmental compatibility. This dearth of materials is particularly acute in structural applications at temperatures above 700°C in liquid Fluoride Salt Cooled High-Temperature Reactors (FHRs) and Concentrated Solar Power (CSP) systems where liquid fluoride and/or liquid chloride salts are used for their high thermal capacity and low thermal conductivity to store and transport heat. It has been shown that fluorides and chlorides can degrade the properties of the material used for storage and transport due to corrosive effects thus affecting the performance and lifetime characteristics. Thus, materials used for storage and transport for fluoride/chloride-salt must at the minimum have good compatibility with the salt by exhibiting low corrosion rates at the required temperatures. In addition, since many of the components will be subject to stresses in service, they need to have sufficient strength to resist plastic deformation, and the resistance to time dependent creep deformation at these temperatures, and stress levels. Achieving the combination of these properties required for higher temperatures is particularly challenging considering traditionally, the expected lifetime of some of the components used in these systems are from 30 years (CSP) to 80 years (FHRs). Although 316 stainless steel and associated redox corrosion reduction techniques are being considered for use in the first generational systems, use of 316SS is limited to operating temperatures up to ~ 650°C, thereby resulting in lower reactor efficiencies. Hastelloy ® N, developed at ORNL in the 1950s-60s for molten salt service is currently the leading candidate FHR structural alloy but has inadequate creep properties at high temperatures. Using a computationally-guided approach, Oak Ridge National Laboratory had developed new high strength alloys strengthened by γ’ precipitates (about 2X the strength of Hastelloy ® N) in small laboratory-scale heats that show good resistance to corrosion by fluorides and improved creep rupture life at temperatures up to 850°C (U.S. Patent Application No. 13/833,357 entitled “High Strength Alloys for High Temperature Service in Liquid-Salt Cooled Energy Systems”- granted U. S. Patent No. 9,540,714).

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2023

Reversible transformations between the non-porous phases of a flexible coordination network enabled by transient porosity

Abstract Flexible metal–organic materials that exhibit stimulus-responsive switching between closed (non-porous) and open (porous) structures induced by gas molecules are of potential utility in gas storage and separation. Such behaviour is currently limited to a few dozen physisorbents that typically switch through a breathing mechanism requiring structural contortions. Here we show a clathrate (non-porous) coordination network that undergoes gas-induced switching between multiple non-porous phases through transient porosity, which involves the diffusion of guests between discrete voids through intra-network distortions. This material is synthesized as a clathrate phase with solvent-filled cavities; evacuation affords a single-crystal to single-crystal transformation to a phase with smaller cavities. At 298 K, carbon dioxide, acetylene, ethylene and ethane induce reversible switching between guest-free and gas-loaded clathrate phases. For carbon dioxide and acetylene at cryogenic temperatures, phases showing progressively higher loadings were observed and characterized using in situ X-ray diffraction, and the mechanism of diffusion was computationally elucidated.

Chemistry↗
DOE OSTI2024

Experimental and numerical investigation of fracture conductivity between non-smooth rock surfaces with and without proppant

The enhancement of fracture conductivity is vital for the efficient recovery of subsurface resources, such as geothermal energy and petroleum hydrocarbons. Proppants, granular materials injected into hydraulic fractures to maintain their conductivity, have been studied primarily in the context of smooth fractures (i.e., fractures between smooth rock surfaces). However, non-smooth fractures (i.e., fractures between rough rock surfaces) are common in geoenergy reservoirs and thus require further investigations. In this study, we conducted laboratory measurements of fracture conductivity on shale slabs with non-smooth surfaces and carried out numerical simulation using the lattice Boltzmann (LB) method, which aimed to investigate the conductivity of non-smooth fractures with and without proppants placement. When ceramic proppant with an areal concentration of 2 lb/ft 2 was placed in the fracture, the conductivity was enhanced by roughly 3-8 times compared to fractures without proppant. In fractures with proppant, gas-measured conductivity was higher than that measured with water due to proppant embedment caused by water. The experiments demonstrate the advantages of using proppant in fractures, even if the rock surface roughness can provide certain fracture conductivity via the self-propping mechanism. For fractures without proppants, high rock surface roughness is not necessarily favorable for enhancing fracture conductivity because the self-propping mechanism requires shear slip along the fracture surface. If there is no shear slip, high rock surface roughness can cause a detrimental effect on the fracture conductivity due to the interlocking effect. Utilizing advanced experimental equipment and LB modeling, this research explores the interplays between proppant placement, fracture geometry, and stress conditions to develop a comprehensive understanding of the productivity in non-smooth fractures. Further, the outcomes of this investigation indicate the importance of creating fractures with surface roughness during hydraulic fracturing and will contribute to the development of more efficient stimulation techniques for subsurface energy extraction.

15 GEOTHERMAL ENERGY↗
DOE OSTI2022

Mechanical behavior of bimetallic stainless steel and gray cast iron repairs via directed energy deposition additive manufacturing

The utility of gray cast iron in engine components remains tied to the mechanical performance and cost. Repair and remanufacturing of castings offer economical and sustainable benefits; however, high thermal input from traditional fusion-based welding is unable to restore the original mechanical quality owing to brittle microstructures and porosity formed in situ. Directed energy deposition (DED) is an additive manufacturing method that has received considerable interest for repairs owing to the highly controllable nature of the process. Despite this, few works have connected the effect of DED parameters on actual interfacial strength. Consequently, distinct DED parameter combinations were identified to maximize the strength and fatigue life of the repaired cast iron. Further, high speed melt pool imaging and residual stress measurements are provided to aid in the understanding of the metallurgical quality and strength seen in these structures. In general, higher scanning speeds and lower thermal gradients promoted comparable tensile strength to that of the original gray cast iron. The results presented here provide a foundation to tune in the DED process to generate the required mechanical quality as a starting point for future process advancements.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Utilization of lasso peptides for biodegradation of polycyclic aromatic hydrocarbons

Abstract Many microbial genes involved in degrading recalcitrant environmental contaminants such as polycyclic aromatic hydrocarbons (PAHs) have been identified and characterized. However, all molecular mechanisms required for PAH utilization have not yet been elucidated. In this work, we demonstrate the proposed involvement of lasso peptides in the utilization of the PAH phenanthrene in Sphingomonas BPH. Transpositional mutagenesis of Sphingomonas BPH with the miniTn5 transposon yielded 3 phenanthrene utilization deficient mutants, #257, #1778, and #1782. In mutant #1782, Tn5 had inserted into the large subunit of the naph/bph dioxygenase gene. In mutant #1778, Tn5 had inserted into the B2 protease gene of a lasso peptide cluster. This finding is the first report on the role of lasso peptides in PAH utilization. Our studies also demonstrate that interruption of the lasso peptide cluster resulted in a significant increase in the amount of biosurfactant produced in the presence of glucose when compared to the wild‐type strain. Collectively, these results suggest that the mechanisms Sphingomonas BPH utilizes to degrade phenanthrene are far more complex than previously understood and that the #1778 mutant may be a good candidate for bioremediation when glucose is applied as an amendment due to its higher biosurfactant production.

59 BASIC BIOLOGICAL SCIENCES↗
NASA NTRS2019

Development of Pericyclic Gearbox for Roving Application

Many aerospace mechanisms require high gear reduction ratios to reduce the high output speed of a motor to much lower speeds for precision rotation. Conventionally this actuation is performed with multiple gear stages, typically including a harmonic gearbox, and is required to be lightweight for spaceflight. One application of multiple gear stages is in rover wheel actuators intended for use on the Moon and Mars. These actuators require low total mass, high reliability, and precision actuation due to their remote operation. The pericyclic gearbox has the capability in a single stage to provide high reduction ratios equivalent to multiple conventional stages. Some benefits of utilizing pericyclic gear technology over multiple conventional stages are a compact form, fewer total parts, no reliance on flexible members (such as in harmonic drives), and lower total system mass. The goal of this work was to modify and build on existing modeling tools to determine the feasibility of utilizing the pericyclic gearbox for such an application. Critical aspects to consider were gear tooth loads, gear mesh efficiency, bearing loads, bearing efficiency, and total system mass. Developed tools were then used to examine a single stage pericyclic gearbox's trends in mass and efficiency for a Mars 2020 rover wheel actuator mechanism design case which was then compared to multistage gearbox designs.

Krantz, Timothy↗