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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 217 records · Page 12
All sourcesNASA NTRSDOE OSTI
DOE OSTI2023

Effect of a micro-scale dislocation pileup on the atomic-scale multi-variant phase transformation and twinning

In this paper, we perform concurrent atomistic–continuum (CAC) simulations to assess the contribution of the internal stress induced by the microscale dislocation pileup at an atomically structured interface to the atomic-scale phase transformations (PTs), reverse PTs, and twinning. The main novelty of this work is to unify the atomistic description of the interface and the coarse-grained (CG) description of the lagging dislocations away from the interface within one single framework. Our major findings are: (a) the interface dynamically responds to a pileup by forming steps/ledges, the height of which is proportional to the number of dislocations arriving at the interface; (b) the pileup-induced internal stress concentration profile follows neither the classical Eshelby model nor the super-dislocation model alone, but a combination of them; (c) when the pre-sheared sample is compressed, a direct square-to-hexagonal PT occurs ahead of the pileup tip and eventually grows into a wedge shape. The two variants of the hexagonal phases form a twin with respect to each other; (d) upon a further increase of the loading, part of the newly formed hexagonal phase transforms back to the square phase. The square product phase resulting from this reverse PT forms a twin with respect to the initial square phase. All phase boundaries (PBs) and twin boundaries (TBs) are stationary and correspond to zero thermodynamic Eshelby driving forces; and (e) the microscale dislocation pileup-induced internal shear stress and the structural change at the atomic-scale interface reduces the stress required for initiating a PT by a factor of 5.5, comparing with that in the sample containing no dislocations. This work is the first characterization of the behavior of PTs/twinning resulting from the reaction between a microscale dislocation slip and an atomically structured interface. In conclusion, the gained knowledge will advance our understanding of how the multi-phase material behaves in many complex physical processes, such as the synthesis of multi-phase high-entropy alloys or superhard ceramics under high-pressure torsion, deep mantle earthquakes in geophysics, and so on, which all involve dislocation slip, PTs, twinning, and their interactions across from the atomistic to the microscale and beyond.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Characterization of EJ-270 and Ce-doped LiCAF scintillators for the development of high-rate neutron reflectometer detectors

The Second Target Station of the Spallation Neutron Source at Oak Ridge National Laboratory is anticipated to provide a neutron source with ∼20 times increase in peak brightness than the First Target Station. The neutron reflectometers currently in operation at the First Target Station need to be upgraded due to the increased neutron flux. A prototype neutron detector module based upon a pixelated scintillator array readout by silicon photomultipliers is being developed to address the high-rate challenge faced with future neutron reflectometer instruments at the Second Target Station. Two types of scintillator materials were considered for this detector development, i.e., 6 Li-loaded EJ-270 plastic scintillator and Ce-doped LiCAF single crystal. This paper reports the scintillator characterization results, including light yield, pulse shape discrimination performance, capability to detect thermal neutrons in a high γ-ray field, and γ-ray sensitivity. The number of photons produced per neutron capture by EJ-270 and LiCAF:Ce was measured to be 2176 ± 91 and 2651 ± 108, respectively. EJ-270 demonstrated a good capability to discriminate between neutrons and γ-rays by employing the commonly used charge comparison method (figure-of-merit: 1.13 ± 0.01 for an energy cut of 292–426 keVee) and a reasonable performance when using the time-over-threshold techniques; however, no discrimination was observed from LiCAF:Ce regardless of the pulse shape discrimination approaches utilized, making pulse height discrimination necessary for LiCAF:Ce to differentiate between neutrons and γ-rays. Both EJ-270 and LiCAF:Ce exhibited an acceptable capacity to detect thermal neutrons at high exposure rates up to approximately 584 mR/h. Furthermore, the γ-ray sensitivities measured with a 60 Co source at an exposure rate of around 1145 mR/h were determined to be (6.11 ± 0.87) × 10 −6 and (7.64 ± 1.08) × 10 −7 for EJ-270 and LiCAF:Ce, respectively.

EJ-270↗
DOE OSTI2026

Sensitivity Analysis of Numerical Modeling Input Parameters on Wind Turbine Loads in Deterministic Transient Load Cases

Aero-hydro-elastic-servo numerical models used to design and analyze wind turbines are based on thousands of variable input parameters that dictate the inflow, aerodynamic, structural, and control characteristics of the system as well as sea state, hydrodynamic, and mooring characteristics for fixed-bottom and floating offshore wind turbines. Each of these parameters has some level of uncertainty, which can significantly impact the predicted loads. Understanding the uncertainty in the inputs is critical to understanding the uncertainty in the outputs. This work demonstrates a screening technique to identify which parameters ultimate loads are most sensitive to so that more focus can be given to quantifying the possible range of those parameters. This technique has been demonstrated previously for different turbine and load case types and is extended here for a floating offshore wind turbine in design load cases with transient events both in the inflow and operations. Each load case features a deterministic gust, including variations in wind speed, direction, and shear. Load cases are considered with an operating turbine as well as with prescribed fault, startup, and shutdown procedures. The study found that key input parameters with a large impact on loads include the length of the gust, the magnitude of direction change and speed in the gust, the initial wind speed, and the shape of the gust profile.

17 WIND ENERGY↗
DOE OSTI2023

A Study of Wake Characteristics of Marine Turbine Arrays: Preprint

As the marine energy industry continues to develop and installations grow from single turbines to small arrays and larger farms, understanding and predicting wake behavior using modeling tools is necessary for array design and optimization. The wake characteristics of upstream turbines, including velocity deficit, wake swirling, tip vortices, wake shape and direction, and flow recovery, influence the inflow conditions experienced by downstream turbines in an array and, subsequently, affect the individual turbine loading and power generated by the array. These wake characteristics are influenced by many factors, including site geography, inflow shear profile, turbulence, waves, the strength of the current resource, gravitational forces, storm surges, and seasonal effects like temperature and wind conditions. Efficient array modeling tools that capture these wake effects and resulting turbine-to-turbine interactions need to be developed to optimize farm layouts and design individual turbines for operation within arrays. Unlike the wind industry, the marine energy research community is largely limited to the use of either numerical tools or tank/flume testing to understand marine turbine wake interactions. This paper will investigate recent advances in numerical and experimental marine turbine wake modeling, with a focus on recent publications and on both axial-flow and cross-flow marine turbines. A summary of recent research on these topics is provided. Additionally, a demonstration of turbine wake interactions using computational fluid dynamics is presented.

marine hydrokinetic turbine↗
DOE OSTI2025

Shear Band Formation in Thin-Film Multilayer Columns Under Compressive Loading: A Mechanistic Study

Micro-pillar compression is a popular experimental technique used for characterizing the mechanical behavior of nano- and micro-laminates. The compressive stress–strain response of the column-shaped thin-film composite can be measured, and the deformation and damage features can be revealed by post-test cross-section microscopy. The development of plastic instability in the form of localized strain concentration (shear bands), leading to eventual failure, is frequently observed. In the present study, a computational approach is used to illustrate the commonality of shear band formation from a continuum standpoint. Systematic finite element analyses are conducted, showing that the strain field tends to become localized once plastic yielding commences. Distinct shear offsets of the layered structure can be revealed from the numerical model, which is similar to those observed in experiments. The actual appearance of shear bands depends on the materials’ constitutive behavior and precise geometries. Post-yield strain hardening reduces the propensity of shear band formation, while strain softening enhances it. Imperfections such as the undulated layer geometry, as well as the frictional characteristics between the specimen and test apparatus, can also influence the shear band morphology and overall stress–strain response.

finite element modeling↗
DOE OSTI2023

ESnet/JLab FPGA Accelerated Transport

To increase the science rate for high data rates/volumes, Thomas Jefferson National Accelerator Facility (JLab) has partnered with Energy Sciences Network (ESnet) to define an edge to data center traffic shaping / steering transport capability featuring data event aware network shaping and forwarding. The keystone of this ESnet+JLab FPGA Accelerated Transport (EJFAT) is the joint development of an AI/ML directed dynamic compute work Load Balancer (LB) of UDP streamed data. The LB is a suite consisting of a Field Programmable Gate Array (FPGA) executing the dynamically configurable, low fixed latency LB data plane featuring real-time packet redirection and high throughput, and a control plane running on the FPGA host computer that monitors network and compute farm telemetry in order to make dynamic AI/ML guided decisions for destination compute host redirection/load balancing and destination resource provisioning. The LB provides for three-tier horizontal scaling across LB suites, core compute hosts, and CPUs within a host. The LB effectively provides seamless integration of edge/core computing to support direct experimental data processing for immediate use by JLab science programs and others such as the EIC as well as data centers of the future requiring high throughput and low latency for both hot and cooled data for both running experiment data acquisition systems and data center use cases.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2022

Shape-stabilized phase change materials for energy storage based on hierarchically porous calcium magnesium carbonate

A composite phase-change material containing a hierarchically porous Ca 1-x Mg x CO 3 and having pores loaded with a phase change material is described. The heat storage material has a latent heat of melting 123 to 221 J/g, a latent heat of freezing of 107 to 201 J/g, and a thermal conductivity of 0.22 to 0.45 W·m −1 ·K −1 . The phase change material may be polyethylene glycol, and the polyethylene glycol does not leak from the pores of the hierarchically porous Ca 1-x Mg x CO 3 when heating or cooling over phase transitions.

25 ENERGY STORAGE↗
DOE OSTI2026

Power performance and loads characterization of laboratory-scale cross-flow rotors fabricated using additive manufacturing

Tidal energy conversion is a relatively new application for additive manufacturing (AM), where the focus has been on fabricating axial-flow turbine blades. AM techniques add material precisely where it is needed, creating more complex shapes with less waste. Cross-flow rotor geometry presents an opportunity for AM to improve rotor performance by fabricating features that cannot be created economically via conventional manufacturing. The challenges associated with using AM in cross-flow design include water resistance and degradation over time while retaining a level of quality equivalent to conventionally machined parts. In this work, AM materials were tested by environmentally conditioning samples in a seawater tank for 5 months, followed by performance and phase-resolved load testing of laboratory-scale rotors in a hydraulic flume. We found that while metals like titanium and Inconel have excellent performance in marine environments, achieving the desired geometry and performance is difficult. Thermoplastics degraded in seawater but were easier to form into desired geometries and could exceed the performance of an aluminum control rotor. Warping and surface finish were significant detractors from AM rotor performance. These results suggest that the primary benefits of using AM for cross-flow rotors is to quickly fabricate and test unconventional rotor geometries.

16 TIDAL AND WAVE POWER↗
DOE OSTI2024

Investigating sol–gel matrix loading capacity toward producing surrogate nuclear explosive debris with realistic composition

Post detonation nuclear forensic materials which resemble the size, color, elemental composition, and radionuclide content of real nuclear debris would be valuable for developing and validating new nuclear forensic techniques. As nuclear fallout types vary significantly, the ability to tailor each of these parameters accurately is desired to produce materials capable of testing analytical methods under a wide array of forensic scenarios. Sol–gel synthesis techniques can provide tunability of size, shape and composition for producing a wide variety of solid nuclear forensics benchmarking materials. Further, the sol–gel process consists of forming a metal oxide material, often silica, through polymerization of a metal-alkoxy precursor. In this work, we characterize the ability to load sol–gel particles with secondary elemental components such as iron, aluminum, and calcium toward producing benchmarking materials approximating the elemental composition of historic nuclear debris from the Nevada National Security Site. We also demonstrate quantitative radionuclide encapsulation toward producing benchmarking materials with controllable radionuclide content. Finally, we employ these techniques to produce nuclear debris benchmarking materials with controllable elemental matrix composition and radionuclide content and compare these samples with the composition of a historic fallout sample previously reported from the Nevada National Security Site.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Geometry-aware framework for deep energy method: An application to structural mechanics with hyperelastic materials

Here, in this work, we introduce a novel physics-informed framework named the Geometry-Aware Deep Energy Method (GADEM) for solving structural mechanics problems on different geometries. As the weak form of the physical system equation (or the energy-based approach) has demonstrated clear advantages compared to the strong form for solving solid mechanics problems, GADEM employs the weak form and aims to infer the solution on multiple shapes of geometries. Integrating a geometry-aware framework into an energy-based method results in an effective physics-informed deep learning model in terms of accuracy and computational cost. Different ways to represent the geometric information and to encode the geometric latent vectors are investigated in this work. We introduce a loss function of GADEM which is minimized based on the potential energy of all considered geometries. An adaptive learning method is also employed for the sampling of collocation points to enhance the performance of GADEM. We present some applications of GADEM to solve solid mechanics problems, including a loading simulation of a toy tire involving contact mechanics and large deformation hyperelasticity. The numerical results of this work demonstrate the remarkable capability of GADEM to infer the solution on various and new shapes of geometries using only one trained model.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2022

Variational and phase response analysis for limit cycles with hard boundaries, with applications to neuromechanical control problems

Motor systems show an overall robustness, but because they are highly nonlinear, understanding how they achieve robustness is difficult. In many rhythmic systems, robustness against perturbations involves response of both the shape and the timing of the trajectory. This makes the study of robustness even more challenging. To understand how a motor system produces robust behaviors in a variable environment, we consider a neuromechanical model of motor patterns in the feeding apparatus of the marine mollusk Aplysia californica (Shaw et al. in J Comput Neurosci 38(1):25–51, 2015; Lyttle et al. in Biol Cybern 111(1):25–47, 2017). We established in (Wang et al. in SIAM J Appl Dyn Syst 20(2):701–744, 2021. https://doi.org/10.1137/20M1344974) the tools for studying combined shape and timing responses of limit cycle systems under sustained perturbations and here apply them to study robustness of the neuromechanical model against increased mechanical load during swallowing. Interestingly, we discover that nonlinear biomechanical properties confer resilience by immediately increasing resistance to applied loads. In contrast, the effect of changed sensory feedback signal is significantly delayed by the firing rates’ hard boundary properties. Our analysis suggests that sensory feedback contributes to robustness in swallowing primarily by shifting the timing of neural activation involved in the power stroke of the motor cycle (retraction). This effect enables the system to generate stronger retractor muscle forces to compensate for the increased load, and hence achieve strong robustness. The approaches that we are applying to understanding a neuromechanical model in Aplysia, and the results that we have obtained, are likely to provide insights into the function of other motor systems that encounter changing mechanical loads and hard boundaries, both due to mechanical and neuronal firing properties.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2020

Simultaneous material, shape and topology optimization

Using three design fields we develop an optimization environment that can simultaneously optimize material, shape and topology. We use the implicit representation of the boundaries with level-set functions that define the shape and topology. Differentiable R-functions allow us to combine these shapes and topology descriptions with Boolean operations. Additionally, we incorporate design dependent-stiffness materials with another design field. Notably, this framework accommodates design dependent loads, has the ability to introduce holes, and ensures the satisfaction of optimality criteria. It builds upon the fictitious domain, ersatz material, material interpolation and level-set methods. Additionally, it also borrows from parameterized density-based topology optimization methods. Since analytical sensitivities can be computed, we use efficient nonlinear programming algorithms to update the design instead of the Hamilton–Jacobi’s scheme of level-set methods. We illustrate the features of our framework by designing a cantilever beam with octet truss microlattice, a dam with design-dependent loads, and a composite clevis plate.

42 ENGINEERING↗
DOE OSTI2023

Comparative Life Cycle Assessment of Injection Molded and Big Area Additive Manufactured NdFeB Bonded Permanent Magnets

Permanent magnets are expected to play a crucial role in the realization of the clean economy. In particular, the neodymium-iron-boron (Nd2Fe14B or NdFeB) magnets, which have the highest energy density among rare earth permanent magnets, are needed for building more efficient windmill generators, electric vehicle motors, etc. Currently, near-net shape magnets can be either made through sintering and compression molding with extensive post machining or directly through injection molding. However, injection molding has a loading volume fraction limitation of 0.65 for nylon binders. A novel method of manufacturing bonded permanent magnets with loading fraction greater than 0.65 has been demonstrated using Big Area Additive Manufacturing (BAAM) printers. As energy density is directly proportional to the square of the magnet loading fraction, magnets produced using BAAM printers require less volume and magnetic material compared to that of injection molded magnets on average. A comparative LCA shows that this difference in magnetic powder consumption nearly constitutes the difference in the environmental impact categories. Even after assuming recycled magnetic input, the BAAM magnets perform better environmentally than injection molded magnets, especially in the ozone depletion category. Since BAAM printers can accommodate even higher loading fractions, at scale, BAAM printers possibly can bring about a significant decrease in rare earth mineral consumption and environmental emissions. So furthermore, single screw extrusion enables BAAM printers to have high print speeds and allow them to be economically competitive against injection molding. Therefore, BAAM printed magnets show promise in transitioning towards the clean economy.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Uncovering the role of nanoscale precipitates on martensitic transformation and superelasticity

Here we characterize the role of coherent nanoscale B2 Ni 50 Al 50 precipitates on the temperature- and stress-induced martensitic phase transformation in nanocrystalline Ni 63 Al 37 shape memory alloys using multi-million-atoms molecular dynamics (MD) simulations. We studied two types of precipitates: one with single crystal precipitates (SXP) and a second where grain boundaries cut through precipitates (PXP). Simulations reveal that the presence of B2 precipitates stabilizes the cyclic flag-shaped stress-strain response, characteristic of superelasticity, and reduces remnant strain. In contrast, single-phase nanocrystalline Ni 63 Al 37 exhibits degradation of the reverse transformation during cyclic loading and, eventually, incomplete reversible transformation within a few cycles. This is consistent with previous experimental findings of ultra-low fatigue in Ni-Ti-Cu alloys with Ti 2 Cu precipitates. The simulations reveal that the presence of precipitates significantly improves the reversibility of the transformation by acting as elastic zones that partially shield the martensitic transformation and drive the reverse transformation. A detailed analysis of the MD trajectories reveals that the martensitic transformation of the matrix induces ultra-large elastic deformation in some of the B2 precipitates (approximately 12%) to the point of resulting in a martensite-like atomic structure.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Probing the Mechanical Performance of Micro-architected Porous Structures Through In Situ Characterization and Analysis

Micropores play critical roles in both natural and man-made materials. Such pores take on a variety of shapes and sizes ranging from spherical to irregular sphere-like voids with diameters spanning from the nanometer to millimeter scales. When porous structures are mechanically loaded, the pores direct the stress around their free surfaces, altering the material’s mechanical response relative to fully dense materials. In this study, for the first time, we create micro-architected porous samples using nanolithography and investigate the role of pore morphology by conducting a series of in situ micropillar compression tests in scanning electron microscopy. The findings demonstrate that porosity is the primary factor influencing the mechanical response of these micro-architected materials, as often seen on a macroscopic level. Additionally, we observed that pore geometry had a significant impact on Young’s modulus, yield stress, and strain energy density as a secondary parameter. Then, the extracted Young’s modulus was compared to macroscopic empirical models and determined the analytical models sufficiently described the impact of porosity in the microscopic scale but failed to capture the impact of second-order parameters. Furthermore, these results suggest how porous materials can be tailored to achieve desired mechanical properties based on the engineering applications of interest.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Development of a hardware-in-the-loop testbed for laboratory performance verification of flexible building equipment in typical commercial buildings

The goals of reducing energy costs, shifting electricity peaks, increasing the use of renewable energy, and enhancing the stability of the electric grid can be met in part by fully exploiting the energy flexibility potential of buildings and building equipment. The development of strategies that exploit these flexibilities could be facilitated by publicly available high-resolution datasets illustrating how control of HVAC systems in commercial buildings can be used in different climate zones to shape the energy use profile of a building for grid needs. This article presents the development and integration of a Hardware-In-the-Loop Flexible load Testbed (HILFT) that integrates physical HVAC systems with a simulated building model and simulated occupants with the goal of generating datasets to verify load flexibility of typical commercial buildings. Compared to simulation-only experiments, the hardware-in-the-loop approach captures the dynamics of the physical systems while also allowing efficient testing of various boundary conditions. The HILFT integration in this article is achieved through the co-simulation among various software environments including LabVIEW, MATLAB, and EnergyPlus. Although theoretically viable, such integration has encountered many real-world challenges, such as: 1) how to design the overall data infrastructure to ensure effective, robust, and efficient integration; 2) how to avoid closed-loop hunting between simulated and emulated variables; 3) how to quantify system response times and minimize system delays; and 4) how to assess the overall integration quality. Lessons-learned using the examples of an AHU-VAV system, an air-source heat pump system, and a water-source heat pump system are presented.

Chen, zhelun↗
DOE OSTI2024

On the role of geometrically necessary dislocations in void formation and growth in response to shock loading conditions in wrought and additively manufactured Ta

This study investigates the role of geometrically necessary dislocations (GNDs) and microstructure on void nucleation and growth in wrought and additively manufactured (AM) tantalum subjected to high-strain rate loading. Multi-modal 3D data was collected using TriBeam tomography to calculate GND densities and their spatial relationship to voids. A microstructural comparison between the wrought and AM samples identified distinct void shapes and locations, with intragranular voids and more spherical voids frequently observed in the AM dataset. Results indicate that voids preferentially form at both high-angle grain boundaries and low-angle subgrain boundaries, the latter of which are frequently observed in the AM material. Through a radial distribution analysis of all voids in the datasets, significant GND localization to near-void-surface regions was observed in both samples. 3D crystal plasticity simulations were employed to extend the experimental observations, revealing higher void growth rates in [111] oriented grains when compared to [001] grains. The simulations also suggest that GNDs can be generated as part of the void growth process, with more GND accumulation for growth in a [111] grain than a [001] grain. These findings provide valuable insights into the links between nanoscale void nucleation, mesoscale void growth, and microstructural effects in dynamically loaded tantalum.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Magnetized liner inertial fusion platform development to assess performance scaling with drive parameters

Magnetized liner inertial fusion (MagLIF) experiments have demonstrated fusion-relevant ion temperatures up to 3.1 keV and thermonuclear production of up to 1.1 × 1013 deuterium–deuterium neutrons. This performance was enabled through platform development that provided increases in applied magnetic field, coupled preheat energy, and drive current. Advanced coil designs with internal reinforcement enabled an increase from 10 to 20 T. An improved laser pulse shape, beam smoothing, and thinner laser entrance foils increased preheat energy coupling from less than 1 to 2.3 kJ. A redesign of the final transmission line and load region increased peak load current from 16 to 20 MA. The wider range of input parameters was leveraged to study target performance trends with preheat energy, applied magnetic field, and peak load current. Ion temperature and neutron yield generally followed trends in two-dimensional clean Lasnex calculations. Stagnation performance improved with peak load current when other input parameters were also increased such that convergence was maintained. This dataset suggests that reducing convergence to less than 30 would improve predictability of target performance. Lasnex was used to identify a simulation-optimized scaling path, which suggests 10+ kJ of fusion yield is possible on the Z facility with achievable input parameters. This path also indicates >10 MJ could be generated through volume burn on a future facility with a path to high yield (>200 MJ) using cryogenic dense fuel layers. The newly developed MagLIF platform enables exploration of both this simulation optimized scaling path and a recently developed similarity-scaling path.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗