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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 OSTI2023

Frequency Domain Reflectometry (FDR) Simulation Techniques for Digital Twin Representation of an Electrical Cable

Simulation of cable system response to frequency domain reflectometry (FDR) tests can be instrumental to understanding these tests and the nature and influence of various cable anomalies on test signatures. Reflectometry simulations are based upon a finite element representation of cable conductors and insulation to produce an S-parameter at each evaluated frequency. The aggregate collection of cable model S-parameters can simulate the influence on a test signal injected into a physical cable. Such an approach was undertaken in this work to produce a digital twin simulation of a low-voltage electrical cable. The electrical cable digital twin examined the influence of test simulation parameters and the relative influence of cable anomalies, including thermal aging, water or moisture exposure, water or moisture ingress, and other anomalies. The digital twin in this work included modeling of the conductors, insulation, jacket, and surrounding environment (air, water, etc.). The digital twin could be expanded to include cable bends, junctions and splices, branch or T systems, and termination impedances of motors or instruments. Observations and conclusions of this work include: 1. Fully 3D digital twin simulation of an electrical cable using an FDR approach is possible. However, there are tradeoffs between simulation fidelity and solution time, which must be balanced to ensure the simulation solves in an adequate amount of time (e.g., less than 20 minutes). Simulation parameters to balance include frequency bandwidth, number of frequencies, mesh density, connection impedance, and permittivity tolerance. 2. The digital twin simulation can explain FDR sensitivity to various cable anomalies, including entry and exit from an oven or water bath. 3. The digital twin simulation FDR response attenuates with distance along the cable and is further affected by the frequency bandwidth, which is similar to that observed with physical measurements. 4. The resolution of the digital twin FDR peaks increased with increasing bandwidth and with increasing number of frequencies, again similar to physical measurements. 5. The presence of multiple anomalies in the digital twin does not substantially attenuate the FDR response to anomalies located beyond the first encountered anomaly and impedance mismatch. 6. Spectral variation of the permittivity did not have a significant effect on the FDR response compared to a fixed nominal value. 7. Extension of the digital twin to 1000 ft still allowed for detection of distal anomalies near the far end of the electrical cable from the instrument connection point. 8. The ARENA test bed facilitates efficient NDE evaluations of well understood cable anomalies with various NDE methods without risking actual plant damage.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2024

A digital twin solution for floating offshore wind turbines validated using a full-scale prototype

Abstract. In this work, we implement, verify, and validate a physics-based digital twin solution applied to a floating offshore wind turbine. The digital twin is validated using measurement data from the full-scale TetraSpar prototype. We focus on the estimation of the aerodynamic loads, wind speed, and section loads along the tower, with the aim of estimating the fatigue lifetime of the tower. Our digital twin solution integrates (1) a Kalman filter to estimate the structural states based on a linear model of the structure and measurements from the turbine, (2) an aerodynamic estimator, and (3) a physics-based virtual sensing procedure to obtain the loads along the tower. The digital twin relies on a set of measurements that are expected to be available on any existing wind turbine (power, pitch, rotor speed, and tower acceleration) and motion sensors that are likely to be standard measurements for a floating platform (inclinometers and GPS sensors). We explore two different pathways to obtain physics-based models: a suite of dedicated Python tools implemented as part of this work and the OpenFAST linearization feature. In our final version of the digital twin, we use components from both approaches. We perform different numerical experiments to verify the individual models of the digital twin. In this simulation realm, we obtain estimated damage equivalent loads of the tower fore–aft bending moment with an accuracy of approximately 5 % to 10 %. When comparing the digital twin estimations with the measurements from the TetraSpar prototype, the errors increased to 10 %–15 % on average. Overall, the accuracy of the results is promising and demonstrates the possibility of using digital twin solutions to estimate fatigue loads on floating offshore wind turbines. A natural continuation of this work would be to implement the monitoring and diagnostics aspect of the digital twin to inform operation and maintenance decisions. The digital twin solution is provided with examples as part of an open-source repository.

17 WIND ENERGY↗
DOE OSTI2021

Three-dimensional atomic scale characterization of {11$\overline{2}$2} twin boundaries in titanium

The {11$\overline{2}$2}<11$\overline{23}$> compression twin can accommodate a considerable amount of strain under c-axis compression in Ti. However, unlike the tensile twin, the structure of the {10$\overline{1}$2}$\langle$$\overline{1}$011$\rangle$ compressive twins has not been completely characterized. In this study, we apply a combined technique of HR-TEM characterization, topological analysis, and atomistic simulations to explore the facets that bound the {11$\overline{2}$2}<11$\overline{23}$> twin in Ti. In addition to the currently known facets (CTB and B-Py), six new facets are observed and categorized for the first time from atomic-scale TEM observations along five crystallographic directions. The six new facets are (11$\overline{2}$0)//(11$\overline{2}$6), PrPr1, PyPy1, (2$\overline{11}$1)//($\overline{1}$2$\overline{1}$2), (1$\overline{1}$04)//(01$\overline{11}$), and (01$\overline{1}$0)//(2$\overline{11}$4). Results from the topological and computational analysis are in reasonable agreement with and support the HRTEM observations. Specifically, (1) the observed facets align with low-index interfaces in both twin and matrix domains, (2) the facets with lower surface energies are found to form extended interfaces, and (3) high-surface-energy facets are found at the twin tip region and explained by the fact that the energy of the combined facet and facet junction configuration is energetically preferred in the twin tip region. These results not only provide a comprehensive understanding of the 3D structure of the {11$\overline{2}$2}<11$\overline{23}$> compressive twins in Ti, but also validate the MD procedure and the Ti interatomic potential employed. This is extremely important for future study of the {11$\overline{2}$2} twin mobility and interactions with other defects, both features that remain extremely challenging to capture in experiments.

36 MATERIALS SCIENCE↗
DOE OSTI2025

The structure and migration of twin boundaries in tetragonal β -Sn: An application of machine learning based interatomic potentials

Although atomistic simulations have contributed significantly to our understanding of twin boundary structure and migration in metals and alloys with hexagonal close packed (HCP) crystal structures, few direct atomistic studies of twinning have been conducted for other types of low symmetry materials, in large part due to a lack of reliable interatomic potentials. In this work, we examine twin boundary structure and migration in a tetragonal material, β-Sn, comparing high resolution Transmission Electron Microscopy (TEM) images of deformation twins in β-Sn to the results of direct atomistic simulations using multiple interatomic potentials. ML-based potentials developed in this work are found to give results consistent with our experimental data, revealing faceted twin boundary structures formed by the nucleation and motion of twinning disconnections. We use bicrystallographic methods in combination with atomistic simulations to analyze the structure, energy and shear coupled migration of observed twin facets in β-Sn. In analogy to Prismatic-Basal (PB/BP) interfaces in HCP metals, we discover low energy asymmetric Prismatic-A-plane (PA/AP) interfaces important to twin growth in β-Sn. Finally, a Moment Tensor Potential (MTP) and Rapid Artificial Neural Network (RANN) interatomic potential suitable for studying twinning and phase transformations in Sn are made publicly available as part of this work.

36 MATERIALS SCIENCE↗
DOE OSTI2021

The effects of free surfaces on deformation twinning in HCP metals

Deformation twinning is a predominant mode of plastic deformation for hexagonal close packed metals, like Mg and Ti. The heterogenous microstructure and the local stresses associated with twinning play a key role in their mechanical response and fracture. Surface analyses, like electron microscopy, are frequently employed to spatially map microstructure and micromechanical fields in order to study twinning behavior. However, these measurements are inherently influenced by the vicinity of the free surface. In this work, an elasto-visco-plastic fast-Fourier-transform (EVP-FFT) polycrystal modeling approach is employed to investigate the effects of free surfaces on twin development before and after loading. We compare calculated micromechanical fields on free surfaces with those calculated inside the bulk and, in some cases, experimental surface measurements. The results indicate that the creation of free surfaces can promote twin propagation and growth and can influence twin morphology by causing a twin lamella to become larger, more blunted and irregular. The structure along the twin boundaries are also affected, due to the higher driving stresses that extend prismatic-basal and basal-prismatic facets. Furthermore, free surfaces invoke different slip activities in the twin and the surrounding parent crystal by enhancing basal, prismatic and pyramidal slip in some localized regions, while reducing slip in others. We demonstrate that the simulated free-surface effects lead to better qualitative and quantitative agreement with experimental measurements from scanning electron microscopy and digital image correlation.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Digital Twins for Materials

Digital twins are emerging as powerful tools for supporting innovation as well as optimizing the in-service performance of a broad range of complex physical machines, devices, and components. A digital twin is generally designed to provide accurate in-silico representation of the form (i.e., appearance) and the functional response of a specified (unique) physical twin. This paper offers a new perspective on how the emerging concept of digital twins could be applied to accelerate materials innovation efforts. Specifically, it is argued that the material itself can be considered as a highly complex multiscale physical system whose form (i.e., details of the material structure over a hierarchy of material length) and function (i.e., response to external stimuli typically characterized through suitably defined material properties) can be captured suitably in a digital twin. Accordingly, the digital twin can represent the evolution of structure, process, and performance of the material over time, with regard to both process history and in-service environment. This paper establishes the foundational concepts and frameworks needed to formulate and continuously update both the form and function of the digital twin of a selected material physical twin. The form of the proposed material digital twin can be captured effectively using the broadly applicable framework of n-point spatial correlations, while its function at the different length scales can be captured using homogenization and localization process-structure-property surrogate models calibrated to collections of available experimental and physics-based simulation data.

36 MATERIALS SCIENCE↗
DOE OSTI2020

A predictive mirror twin Higgs with small Z2 breaking

The twin Higgs mechanism is a solution to the little hierarchy problem in which the top partner is neutral under the Standard Model (SM) gauge group. The simplest mirror twin Higgs (MTH) model — where a Z 2 symmetry copies each SM particle — has too many relativistic degrees of freedom to be consistent with cosmological observations. We demonstrate that MTH models can have an observationally viable cosmology if the twin mass spectrum leads to twin neutrino decoupling before the SM and twin QCD phase transitions. Our solution requires the twin photon to have a mass of ~20 MeV and kinetically mix with the SM photon to mediate entropy transfer from the twin sector to the SM. This twin photon can be robustly discovered or excluded by future experiments. Additionally, the residual twin degrees of freedom present in the early Universe in this scenario would be detectable by future observations of the cosmic microwave background.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2022

Crystal plasticity including a phase-field deformation twinning model for the high-rate deformation of cyclotetramethylene tetranitramine

A new finite strain thermomechanical model for the high-rate deformation of the β-polymorph of cyclotetramethylene tetranitramine (β-HMX) has been developed and applied to simulations of plate impact experiments. The crystal plasticity model is based on a model developed previously for RDX (Luscher et al. 2017), which is extended to incorporate deformation twinning. Twinning during normal plate impacts is simulated with a phase-field twin model. First, material parameters governing the kinetics of dislocation slip are calibrated on the subset of simulations which had negative Schmid factors for the twin system. Second, a parametric study of the twin material parameters was performed to find suitable values. Overall, the results of the simulations with the phase-field twinning model are reported for impacts on several crystal orientations. We find that the twin growth decreases with increasing distance from the impact surface because of dissipation of the shock front via dislocation-mediated plasticity, and that the simulated interface velocity with and without phase-field twinning do not show appreciable differences. These modeling results suggest that the significance of twinning in β-HMX cannot be determined with traditional loading configurations and diagnostics.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Direct observation of dual-step twinning nucleation in hexagonal close-packed crystals

Design and processing of advanced lightweight structural alloys based on magnesium and titanium rely critically on a control over twinning which, however, remains elusive to date and is dependent on an explicit understanding on the twinning nucleation mechanism in hexagonal close-packed (HCP) crystals. Here, by using in-situ high resolution transmission electron microscopy, we directly reveal a “dual-step” twinning nucleation mechanism in HCP rhenium nanocrystals. It is found that nucleation of the predominant {10 -12} twinning is initiated by disconnections on the Prismatic¦Basal interfaces which establish the lattice correspondence of the twin with a minor deviation from the ideal orientation. Subsequently, the minor deviation is corrected by the formation of coherent twin boundaries through rearrangement of the disconnections on the Prismatic¦Basal interface; thereafter, the coherent twin boundaries propagate by twinning disconnections. The findings provide much-needed high-resolution evidences to the twinning nucleation mechanism in HCP crystals, with crucial implications for engineering advanced structural alloys.

36 MATERIALS SCIENCE↗
DOE OSTI2024

In situ observation of the atomic shuffles during the {${{11}}\bar{{{2}}}{{1}}$} twinning in hexagonal close-packed rhenium

Twinning, on par with dislocations, is critically required in plastic deformation of hexagonal close-packed crystals at low temperatures. In contrast to that in cubic-structured crystals, twinning in hexagonal close-packed crystals requires atomic shuffles in addition to shear. Though the twinning shear that is carried by twinning dislocations has been captured for decades, direct experimental observation of the atomic shuffles, especially when the shuffling mode is not unique and does not confine to the plane of shear, remains a formidable challenge to date. Here, by using in-situ transmission electron microscopy, we directly capture the atomic mechanism of the {${{11}}\bar{{{2}}}{{1}}$} twinning in hexagonal close packed rhenium nanocrystals. Results show that the {${{11}}\bar{{{2}}}{{1}}$} twinning is dominated by the ($\textbf{b}$ 1/2 , h 1/2 ) twinning disconnections. In contrast to conventional expectations, the atomic shuffles accompanying the twinning disconnections proceed on alternative basal planes along 1/6 {${{1\bar1}}{{{0}}}{{0}}$} , which may be attributed to the free surface in nanocrystal samples, leading to a lack of mirror symmetry across the {${{11}}\bar{{{2}}}{{1}}$} twin boundary.

(S)TEM↗
DOE OSTI2025

A quantitative comparison of the fingerprint of twinned microstructures through surface and three-dimensional techniques

Assessing the fingerprint of a material’s microstructure is key for supporting materials design. With the emergence of a wide range of 3D characterization techniques, it is critical to understand the main differences in fingerprints reconstructed from 2D and 3D datasets. To this end, we introduce a graph-based microstructure reconstruction framework that enables structural comparisons of twin domain networks in high purity Ti using 3D and 2D electron backscatter diffraction. Insights into the structure of the twin networks are facilitated by combining statistical analysis of twin crystallography with visual and graphical analysis of the novel graph abstractions of the twins. We demonstrate that compared to 3D reconstructions, conventional 2D views of twinning miss key aspects of the microstructure including the high interconnectivity of domains into networks that span the full reconstruction volume. The reduced cross-grain and in-grain twin connectivity typically observed in 2D has notable implications on our understanding of how twinning mediates the plastic response of microstructures and how twin networks evolve. It is thus clear that 3D characterization is critical for accurately inferring both twin network morphologies as well as the key unit processes facilitating network formation.

36 MATERIALS SCIENCE↗
DOE OSTI2023

A Theoretical Open Architecture Framework and Technology Stack for Digital Twins in Energy Sector Applications

Digital twin is often viewed as a technology that can assist engineers and researchers make data-driven system and network-level decisions. Across the scientific literature, digital twins have been consistently theorized as a strong solution to facilitate proactive discovery of system failures, system and network efficiency improvement, system and network operation optimization, among others. With their strong affinity to the industrial metaverse concept, digital twins have the potential to offer high-value propositions that are unique to the energy sector stakeholders to realize the true potential of physical and digital convergence and pertinent sustainability goals. Although the technology has been known for a long time in theory, its practical real-world applications have been so far limited, nevertheless with tremendous growth projections. In the energy sector, there have been theoretical and lab-level experimental analysis of digital twins but few of those experiments resulted in real-world deployments. There may be many contributing factors to any friction associated with real-world scalable deployment in the energy sector such as cost, regulatory, and compliance requirements, and measurable and comparable methods to evaluate performance and return on investment. Those factors can be potentially addressed if the digital twin applications are built on the foundations of a scalable and interoperable framework that can drive a digital twin application across the project lifecycle: from ideation to theoretical deep dive to proof of concept to large-scale experiment to real-world deployment at scale. This paper is an attempt to define a digital twin open architecture framework that comprises a digital twin technology stack (D-Arc) coupled with information flow, sequence, and object diagrams. Those artifacts can be used by energy sector engineers and researchers to use any digital twin platform to drive research and engineering. This paper also provides critical details related to cybersecurity aspects, data management processes, and relevant energy sector use cases.

Gourisetti, Sri, Nikhil Gupta (ORCID:0000000188778↗
DOE OSTI2024

Mobility of twinning dislocations in copper up to supersonic speeds

Understanding the mobility of twinning dislocations is important for multiscale modeling of crystal plasticity, especially at high strain rates, where such dislocations may reach transonic or supersonic speeds. Here, we used molecular dynamics simulations to investigate the relationship between dislocation velocity and the applied resolved shear stress of an edge twinning dislocation in copper up to supersonic speeds. The twinning dislocation mobility relation is composed of two branches separated by a band of forbidden velocities. The lower velocity branch is limited by the first transverse sound speed ~2000 m/s while the upper branch stretches from ~3500 m/s in the transonic regime to supersonic velocities. Twinning dislocations cannot undergo uniform steady-state motion at velocities within the forbidden band. Our simulation results also reveal that edge twinning dislocation motion in copper is kink-mediated. We discuss the implications of our findings for the motion of twins, twinning dislocations, and twinning dislocation kinks in copper.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Comparison of three state-of-the-art crystal plasticity based deformation twinning models for magnesium alloys

In magnesium alloys, deformation twinning and its interactions with dislocation slip are responsible for a sigmoidal shape stress–strain behavior and an asymmetrical tension–compression yield strength in magnesium alloys. The sensitivity of twinning to the underlying microstructure renders the crystal plasticity method the most commonly adopted modeling approach for magnesium-twinning. This paper compares three state-of-the-art crystal plasticity-based twinning models from the literature, namely the elastic-viscoplastic self-consistent twinning-detwinning (EVPSC-TDT) model, crystal plasticity finite element model based on enhanced predominate twin reorientation approach (CPFE-ePTR), and the crystal plasticity finite element model based on “discrete twinning” approach (CPFE-DT). A polycrystalline microstructure is simulated with all three methods to compare the resulting stress–strain curves and lattice strains to those from the experimentally measured data. All three methods showed the capability of capturing the experimental results with different levels of accuracy. Additionally, the EVPSC-TDT method avoids solving the finite element matrices and showed the highest computational efficiency. The CPFE-ePTR model shows a higher accuracy in capturing the lattice strain. The CPFE-DT relies on high-resolution finite element mesh and is much slower than the other two methods, but it captured the local deformation concentration and stress reversal phenomena near the twin band, which was not possible with the other two methods. Based on the comparison, guidance for the selection of the appropriate model based on the specific modeling target is provided in this paper.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Automated identification of deformation twin systems in Mg WE43 from SEM DIC

In this study, the application of machine learning and computer vision approaches to microscale deformation data for the automated identification of deformation twinning systems, and their associated twin area, is introduced. Deformation data was obtained during in-situ SEM compression testing of a WE43 Mg alloy using digital image correlation (DIC) modified for use with electron microscopy. A 5.7 mm × 3.4 mm area of interest was analyzed, generating ~100 million data points of deformation. Experimental twin trace directions were determined by applying k-means clustering, morphological thinning, and Hough transforms to the deformation data. The identification of deformation twinning was achieved by consideration of the twin trace direction, its strain value, and its evolution. The deformation map was divided into areas corresponding to individual active twin systems, enabling the analysis of microstructure dependence of deformation behavior and twinning activity. The performance of the proposed twinning identification approach was evaluated by accuracy, precision, and sensitivity metrics. The effect of the tuning parameters used in the algorithm on the performance is also discussed.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Unstable twin in body-centered cubic tungsten nanocrystals

Twinning is commonly activated in plastic deformation of low stacking fault face-centered cubic (Fcc) metals but rarely found in body-centered cubic (Bcc) metals under room temperature and slow strain rates. Here, by conducting in situ transmission electron microscopy (TEM) at atomic scale, we discovered that, in stark contrast to those in most Fcc metals, a majority of deformation twins in Bcc metals are unstable and undergo spontaneously detwinning upon unloading. Such unexpected instability of Bcc twins was found to be closely related to the prevalence of the inclined twin boundaries—a peculiar structure where twin boundaries are not parallel to the twinning plane, and the degree of instability is in direct proportion to the fraction of the inclined twin boundary. This work provides significant insights into the structure and stability of deformation twins in Bcc metals.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Bayesian quantification of observability and equation of state of twin stars

The possibility of discovering twin stars, two neutron stars (NSs) with the same mass but different radii, is usually studied in forward modelings by using a restricted number of NS matter equations of state (EOSs) encapsulating a first-order phase transition from hadronic to quark matter (QM). Informing our likelihood function with the NS radius data from GW170817 and using a metamodel with nine parameters capable of mimicking most NS EOSs available in the literature, we conduct a Bayesian quantification of the observability and underlying EOSs of twin stars. Of the accepted EOSs, between 12 and 18% yield twin stars, depending on the restrictions we place on the second branch. The possibility of twin stars remains robust even under recent observational constraints. Here, we show that many of these twin star scenarios are observable with currently available levels of accuracy in measuring NS radii. We also present the marginalized posterior probability density functions (PDFs) of every EOS parameter for each of four mass-radius correlation topologies. We find that the inferred EOS depends sensitively on not only whether twin stars are present, but also the category of twin stars, indicating that the observation of twin stars would provide a strong constraint on the underlying EOS. In particular, for two coexisting hybrid stars having QM cores at different densities, the PDF for QM speed of sound squared 𝑐$^2_{qm}$ has two peaks, one below and another above the conformal limit 𝑐$^2_{qm}$ = 1/3 predicted by perturbative QCD.

QCD in nuclear reactions↗