Search NASA⌕ Search

SEARCH · Search NASA

Results for “material response simulation”

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.

Quote a phrase for an exact phrase match. Source license links do not imply unrestricted reuse.

At least 1,747 records · Page 97
All sourcesNASA NTRSDOE OSTI
DOE OSTI2016

High-flux plasma exposure of ultra-fine grain tungsten

Here we examine the response of an ultra-fine grained (UFG) tungsten material to high-flux deuterium plasma exposure. UFG tungsten has received considerable interest as a possible plasma-facing material in magnetic confinement fusion devices, in large part because of its improved resistance to neutron damage. However, optimization of the material in this manner may lead to trade-offs in other properties. Moreover, we address two aspects of the problem in this work: (a) how high-flux plasmas modify the structure of the exposed surface, and (b) how hydrogen isotopes become trapped within the material. The specific UFG tungsten considered here contains 100 nm-width Ti dispersoids (1 wt%) that limit the growth of the W grains to a median size of 960 nm. Metal impurities (Fe, Cr) as well as O were identified within the dispersoids; these species were absent from the W matrix. To simulate relevant particle bombardment conditions, we exposed specimens of the W-Ti material to low energy (100 eV), high-flux (> 10 22 m -2 s -1 ) deuterium plasmas in the PISCES-A facility at the University of California, San Diego. To explore different temperature-dependent trapping mechanisms, we considered a range of exposure temperatures between 200 °C and 500 °C. For comparison, we also exposed reference specimens of conventional powder metallurgy warm-rolled and ITER-grade tungsten at 300 °C. Post-mortem focused ion beam profiling and atomic force microscopy of the UFG tungsten revealed no evidence of near-surface bubbles containing high pressure D2 gas, a common surface degradation mechanism associated with plasma exposure. Thermal desorption spectrometry indicated moderately higher trapping of D in the material compared with the reference specimens, though still within the spread of values for different tungsten grades found in the literature database. Finally, for the criteria considered here, these results do not indicate any significant obstacles to the potential use of UFG tungsten as a plasma-facing material, although further experimental work is needed to assess material response to transient events and high plasma fluence.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2021

Uncertainty bounds for multivariate machine learning predictions on high-strain brittle fracture

Simulation of the crack network evolution on high strain rate impact experiments performed in brittle materials is very compute-intensive. The cost increases even more if multiple simulations are needed to account for the randomness in crack length, location, and orientation, which is inherently found in real-world materials. Constructing a machine learning emulator can make the process faster by orders of magnitude. There has been little work, however, on assessing the error associated with their predictions. Estimating these errors is imperative for meaningful overall uncertainty quantification. In this work, we extend the heteroscedastic uncertainty estimates to bound a multiple output machine learning emulator. Overall, we find that the response prediction is accurate within its predicted errors, but with a somewhat conservative estimate of uncertainty.

36 MATERIALS SCIENCE↗
DOE OSTI2018

Nonlinear multiphysics and multiscale modeling of dynamic ferromagnetic–thermal problems

A coupled ferromagnetic–thermal solver is developed for the multiphysics and multiscale modeling and simulation of nonlinear magnetic materials in the time domain. By adopting a temperature-dependent dynamic hysteresis model, the power loss is characterized and calculated from the solution of Maxwell's equations, which serves as the heat source for the thermal problem. By solving the thermal problem, the temperature change is obtained, and its effect on the magnetic material property can be quantified, which is then coupled back to Maxwell's equations. Due to different temporal characteristics of the electromagnetic fields and the thermal response, the resulting coupled ferromagnetic–thermal system has two significantly different time scales. Such a temporal multiscale issue is addressed with a proposed multiscale time integration method to account for the multiscale coupling between the two physics. With the proposed multiphysics and multiscale modeling method, both the electromagnetic fields and the thermal responses can be captured accurately in a dynamic operation.

Yan, Su (ORCID:0000000273763493)↗
DOE OSTI2020

Shockwave dissipation by interface-dominated porous structures

The advent of additive manufacturing (AM) has enabled topological control of structures at the micrometer scale, transforming the properties of polymers for a variety of applications. Examples include tailored mechanical responses, acoustic properties, and thermal properties. Porous polymer materials are a class of materials used for shock and blast mitigation, yet they frequently possess a lack of structural order and are largely developed and evaluated via trial-and-error. Here, we demonstrate control of shockwave dissipation through interface-dominated structures prepared by AM using 2-photon polymerization. A fractal structure with voids, or free surfaces, arranged less than 100 μm apart, allows for rarefaction interactions on the timescale of the shockwave loading. Simulations and dynamic x-ray phase contrast imaging experiments show that fractal structures with interfaces assembled within a “critical” volume reduce shockwave stress and wave velocity by over an order of magnitude within the first unit cell.

36 MATERIALS SCIENCE↗
DOE OSTI2012

FAILED-DETONATION SUPERNOVAE: SUBLUMINOUS LOW-VELOCITY Ia SUPERNOVAE AND THEIR KICKED REMNANT WHITE DWARFS WITH IRON-RICH CORES

Type Ia supernovae (SNe Ia) originate from the thermonuclear explosions of carbon-oxygen (C-O) white dwarfs (WDs). The single-degenerate scenario is a well-explored model of SNe Ia where unstable thermonuclear burning initiates in an accreting, Chandrasekhar-mass WD and forms an advancing flame. By several proposed physical processes, the rising, burning material triggers a detonation, which subsequently consumes and unbinds the WD. However, if a detonation is not triggered and the deflagration is too weak to unbind the star, a completely different scenario unfolds. We explore the failure of the gravitationally confined detonation mechanism of SNe Ia, and demonstrate through two-dimensional and three-dimensional simulations the properties of failed-detonation SNe. We show that failed-detonation SNe expel a few 0.1 M{sub Sun} of burned and partially burned material and that a fraction of the material falls back onto the WD, polluting the remnant WD with intermediate-mass and iron-group elements that likely segregate to the core forming a WD whose core is iron rich. The remaining material is asymmetrically ejected at velocities comparable to the escape velocity from the WD, and in response, the WD is kicked to velocities of a few hundred km s{sup -1}. These kicks may unbind the binary and eject a runaway/hypervelocity WD. Although the energy and ejected mass of the failed-detonation SN are a fraction of typical thermonuclear SNe, they are likely to appear as subluminous low-velocity SNe Ia. Such failed detonations might therefore explain or are related to the observed branch of peculiar SNe Ia, such as the family of low-velocity subluminous SNe (SN 2002cx/SN 2008ha-like SNe).

79 ASTRONOMY AND ASTROPHYSICS↗
NASA NTRS2011

On the Effect of IMF Turning on Ion Dynamics at Mercury

We investigate the effect of a rotation of the Interplanetary Magnetic Field (IMF) on the transport of magnetospheric ion populations at Mercury. We focus on ions of planetary origin and investigate their large-scale circulation using three-dimensional single-particle simulations. We show that a nonzero Bx component of the IMF leads to a pronounced asymmetry in the overall circulation pattern . In particular, we demonstrate that the centrifugal acceleration due to curvature of the E x B drift paths is more pronounced in one hemisphere than the other, leading to filling of the magnetospheric lobes and plasma sheet with more or less energetic material depending upon the hemisphere of origin. Using a time-varying electric and magnetic field model, we investigate the response of ions to rapid (a few tens of seconds) re-orientation of the IMF. We show that, for ions with gyroperiods comparable to the field variation time scale, the inductive electric field should lead to significant nonadiabatic energization, up to several hundreds of eVs or a few keVs. It thus appears that IMP turning at Mercury should lead to localized loading of the magnetosphere with energetic material of planetary origin (e.g., Na+).

Delcourt, D. C.↗
NASA NTRS2019

Automatic Incorporation of Flaws into Cad and FEA Models Based On Measured NDE Data

Automatic incorporation of non-destructive evaluation (NDE) data into CAD and finite element (FE) models for structural analysis is essential for accurate residual-life and strength analyses of composite structures. Currently, two significant but independent challenges exist for incorporating NDE data in such analyses: interpretation of the NDE signals to locate and characterize the structural defects and the incorporation of that information into structural analysis tools. The first challenge will be addressed through linear inversion of calculated synthetic responses generated by a simulation engine to evaluate flaw size, location, and other characteristics. The second challenge will be addressed by building on prior and parallel defect modeling efforts to integrate suitable flaw models into the CAD/finite-element representation of a specimen. Ultrasonic NDE information is usually represented using C-Scans of time-of-flight or intensity information. Other modalities such as thermography and computed tomography (CT) could also be used to characterize the structure. This information will first be projected into material coordinates and then aligned with the specimen’s finite element mesh. The NDE data can then be incorporated by inserting flaw geometry into the CAD and FE analysis model and automatic modification of local material properties and boundary conditions. This process will enable the use of structural analysis tools even for practical modalities such as ultrasound and thermography which may not directly give accurate-enough geometric information to fully define the flaw. The full flaw characteristics will be inferred using prior expert and modeling knowledge to categorize flaw signatures. Outputs for this project will include demonstrated methods for creating structural analysis geometric models that incorporate flaw characterization information; these models can then be used directly in popular commercial FEA software. In addition, the primary deliverable for the project will include a software that will be able to automatically incorporate different kinds of flaws into an existing FE models. The models will be generated in standard file formats to enable direct import into the analysis software.

Adarsh Krishnamurthy↗
DOE OSTI2014

Extension of spatiotemporal chaos in glow discharge-semiconductor systems

Generation of chaos in response systems is discovered numerically through specially designed unidirectional coupling of two glow discharge-semiconductor systems. By utilizing the auxiliary system approach, [H. D. I. Abarbanel, N. F. Rulkov, and M. M. Sushchik, Phys. Rev. E 53, 4528–4535 (1996)] it is verified that the phenomenon is not a chaos synchronization. Simulations demonstrate various aspects of the chaos appearance in both drive and response systems. Chaotic control is through the external circuit equation and governs the electrical potential on the boundary. The expandability of the theory to collectives of glow discharge systems is discussed, and this increases the potential of applications of the results. Moreover, the research completes the previous discussion of the chaos appearance in a glow discharge-semiconductor system [D. D. Šijačić U. Ebert, and I. Rafatov, Phys. Rev. E 70, 056220 (2004).].

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2023

Bicrystallography-informed Frenkel–Kontorova model for interlayer dislocations in strained 2D heterostructures

In recent years, van der Waals (vdW) heterostructures and homostructures, which consist of stacks of two-dimensional (2D) materials, have risen to prominence due to their association with exotic quantum phenomena originating from correlated electronic states harbored by them. Atomistic scale relaxation effects play an extremely important role in the electronic scale quantum physics of these systems, providing means of manipulation of these materials and allowing them to be tailored for emergent technologies. We investigate such structural relaxation effects in this work using atomistic and mesoscale models, within the context of twisted bilayer graphene — a well-known heterostructure system that features moiré patterns arising from the lattices of the two graphene layers. For small twist angles, atomic relaxation effects in this system are associated with the natural emergence of interface dislocations or strain solitons, which result from the cyclic nature of the generalized stacking fault energy (GSFE), that measures the interface energy based on the relative movement of the two layers. Here, in this work, we first demonstrate using atomistic simulations that atomic reconstruction in bilayer graphene under a large twist also results from interface dislocations, although the Burgers vectors of such dislocations are considerably smaller than those observed in small-twist systems. To reveal the translational invariance of the heterointerface responsible for the formation of such dislocations, we derive the translational symmetry of the GSFE of a 2D heterostructure using the notions of coincident site lattices (CSLs) and displacement shift complete lattices (DSCLs). The workhorse for this exercise is a recently developed Smith normal form bicrystallography framework. Next, we construct a bicrystallography-informed and frame-invariant Frenkel–Kontorova model, which can predict the formation of strain solitons in arbitrary 2D heterostructures, and apply it to study a heterostrained, large-twist bilayer graphene system. Our mesoscale model is found to produce results consistent with atomistic simulations. We anticipate that the model will be invaluable in predicting structural relaxation and for providing insights into various heterostructure systems, especially in cases where the fundamental unit cell is large and therefore, atomistic simulations are computationally expensive.

2D heterostructures↗
DOE OSTI2020

Strength of porous α-SiO 2 in a shock loaded environment: Calibration via Richtmyer–Meshkov instability and validation via Mach lens

The strength of brittle porous media is of concern in numerous applications, for example, earth penetration, crater formation, and blast loading. Thus, it is of importance to possess techniques that allow for constitutive model calibration within the laboratory setting. The goal of the current work is to demonstrate an experimental technique allowing for strength assessment of porous media subjected to shock loading, which can be implemented into pressure-dependent yield surfaces within numerical simulation schemes. As a case study, the deviatoric response of distended α-SiO 2 has been captured in a tamped Richtmyer–Meshkov instability (RMI) environment at a pressure regime of 4–10 GPa. Hydrocode simulations were used to interpret RMI experimental data, and a resulting pressure-dependent yield surface akin to the often employed modified Drucker–Prager model was calibrated. Simulations indicate that the resulting jet length generated by the RMI is sensitive to the porous media strength, thereby providing a feasible experimental platform capable of capturing the pressurized granular deviatoric response. Furthermore, in efforts to validate the RMI-calibrated strength model, a set of Mach-lens experiments was performed and simulated with the calibrated pressure-dependent yield surface. Excellent agreement between the resulting Mach-lens length in experiment and simulation provides additional confidence to the RMI yield-surface calibration scheme.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Transfer functions for Q A /Q B international regulatory limits for the safe transport of radioactive materials

This paper presents a proposed revision of the International Atomic Energy Agency transport regulations, related to the A 1 and A 2 limit values used to determine the radioactive transport classification. Based on the 'Q system', a novel methodology was introduced to derive Q A and Q B values related to scenarios involving external exposure from a distant source. These values are key parameters that respectively represent the total effective dose and total equivalent dose to the skin, from all primary and secondary particles contributing to radiation exposure. The International Working Group (WG A 1 /A 2 ) is established and associated with the TRANSSC Technical Expert Group on Radiation Protection. A review of the A 1 and A 2 values is performed in response to identified limitations within the existing Q system. The followed approach is based on Monte Carlo simulations that enabled the development of transfer functions aimed at reducing computational time and increasing the flexibility of dose evaluations for any radionuclide with known particle emission spectra. This method allows updating the Q A and Q B values to account for future data evolutions (decay data, fluence-to-dose conversion coefficients) and standardizing the calculation of regulation limits across all referenced radionuclides and scenarios related to external exposure. The transfer functions are established using three Monte Carlo simulation codes—FLUKA, Geant4, and MCNP—and address the previous limitations of the 'Q system', reflecting the latest International Commission for Radiation Protection recommendations and improvements in calculation techniques. The results of the WG show consistent agreement across the codes, with minor discrepancies observed at low primary energies due to statistical uncertainties and different handling of stopping power for electrons/positrons in the codes. This revised approach aligns with current standards and recommendations, ensuring that the radiological consequences of transport accidents are acceptable for the new A 1 and A 2 limits from a radiological protection perspective.

61 RADIATION PROTECTION AND DOSIMETRY↗
DOE OSTI2013

Photon-induced positron annihilation lifetime spectroscopy using ultrashort laser-Compton-scattered gamma-ray pulses

High-energy ultrashort gamma-ray pulses can be generated via laser Compton scattering with 90 Degree-Sign collisions at the UVSOR-II electron storage ring. As an applied study of ultrashort gamma-ray pulses, a new photon-induced positron annihilation lifetime spectroscopy approach has been developed. Ultrashort gamma-ray pulses with a maximum energy of 6.6 MeV and pulse width of 2.2 ps created positrons throughout bulk lead via pair production. Annihilation gamma rays were detected by a BaF{sub 2} scintillator mounted on a photomultiplier tube. A positron lifetime spectrum was obtained by measuring the time difference between the RF frequency of the electron storage ring and the detection time of the annihilation gamma rays. We calculated the response of the BaF{sub 2} scintillator and the time jitter caused by the variation in the total path length of the ultrashort gamma-ray pulses, annihilation gamma rays, and scintillation light using a Monte Carlo simulation code. The positron lifetime for bulk lead was successfully measured.

36 MATERIALS SCIENCE↗
DOE OSTI2016

The discrete-continuum connection in dislocation dynamics: I. Time coarse graining of cross slip

A recent continuum dislocation dynamics formalism (Xia and El-Azab 2015 Model. Simul. Mater. Sci. Eng. 23 055009) has been enriched by incorporating an improved cross slip model. 3D discrete dislocation dynamics simulations were used to collect cross slip rate data in the form of time series that were analysed to estimate the correlation time for cross slip, which was subsequently used as a time scale for local window averaging of the collected cross slip rate data. This time averaging filters out the cross slip rate fluctuations over time intervals less than the correlation time, thus resulting in relatively smoother time series for the cross slip rates. The coarse grained series were further cast in the form of smooth trends with superposed fluctuations and implemented in continuum dislocation dynamics simulations using a Monte Carlo scheme. Here, this approach resulted in a significant improvement of the predicted stress–strain response and a more realistic dislocation cell structure evolution. The similitude law for the average cell size evolution with inverse of stress, however, remains unaffected by the cross slip rates used in continuum dislocation dynamics.

36 MATERIALS SCIENCE↗
DOE OSTI2014

Time of Flight Electrochemistry: Diffusion Coefficient Measurements Using Interdigitated Array (IDA) Electrodes

A simple and straightforward method for measuring diffusion coefficients using interdigitated array (IDA) electrodes is reported. The method does not require that the exact electrode area be known but depends only the size of the gap between the IDA electrode pairs. Electroactive molecules produced at the generator electrode of the IDA by a voltage step or scan can diffuse to the collector electrode and the time delay before the current for the reverse electrochemical reaction is detected at the collector is used to calculate the diffusion coefficient. The measurement of the diffusion rate of Ru(NH3)6+2 in aqueous solution has been used as an example measuring diffusion coefficients using this method. Additionally, a digital simulation of the electrochemical response of the IDA electrodes was used to simulate the entire current/voltage/time behavior of the system and verify the experimentally measured diffusion coefficients. This work was supported as part of the Center for Molecular Electrocatalysis, an Energy Frontier Research Center funded by the Department of Energy, Office of Science, Office of Basic Energy Sciences.

Liu, Fei↗
DOE OSTI2025

Linear magnetoconductivity as a probe of time-reversal symmetry breaking

Several optical experiments have shown that in magnetic materials, the principal axes of response tensors can rotate as an odd function of an applied magnetic field. Here we offer a microscopic explanation of this effect, and we propose a closely related dc transport phenomenon—an off-diagonal symmetric conductivity, linear and odd in a magnetic field, which we refer to as linear magnetoconductivity (LMC). Although LMC has the same functional dependence on a magnetic field as the Hall effect, its origin is fundamentally different: LMC requires time-reversal symmetry to be broken even before a magnetic field is applied, and is therefore a sensitive probe of magnetism. We demonstrate LMC in three different ways: via a tight-binding toy model, a density functional theory calculation on MnPSe3, and a semiclassical treatment. The third approach identifies two distinct mechanisms yielding LMC: momentum-dependent band magnetization and Berry curvature. Finally, we propose an experimental geometry suitable for detecting LMC, and we demonstrate its applicability using Landauer-Büttiker simulations. Our results emphasize the importance of measuring the full conductivity tensor in magnetic materials, and they introduce LMC as a new transport probe of symmetry.

Sunko, V↗
DOE OSTI2015

Quasi-Static Indentation Analysis of Carbon-Fiber Laminates.

A series of quasi - static indentation experiments are conducted on carbon fiber reinforced polymer laminates with a systematic variation of thicknesses and fixture boundary conditions. Different deformation mechanisms and their resulting damage mechanisms are activated b y changing the thickn ess and boundary conditions. The quasi - static indentation experiments have been shown to achieve damage mechanisms similar to impact and penetration, however without strain rate effects. The low rate allows for the detailed analysis on the load response. Moreover, interrupted tests allow for the incremental analysis of various damage mechanisms and pr ogressions. The experimentally tested specimens are non - destructively evaluated (NDE) with optical imaging, ultrasonics and computed tomography. The load displacement responses and the NDE are then utilized in numerical simulations for the purpose of model validation and vetting. The accompanying numerical simulation work serves two purposes. First, the results further reveal the time sequence of events and the meaning behind load dro ps not clear from NDE . Second, the simulations demonstrate insufficiencies in the code and can then direct future efforts for development.

36 MATERIALS SCIENCE↗
DOE OSTI2016

Retrieving plasmonic near-field information: A quantum-mechanical model for streaking photoelectron spectroscopy of gold nanospheres

Streaked photoemission from nanostructures is characterized by size- and material-dependent nanometer-scale variations of the induced nanoplasmonic response to the electronic field of the streaking pulse and thus holds promise of allowing photoelectron imaging with both subfemtosecond temporal and nanometer spatial resolution. In order to scrutinize the driven collective electronic dynamics in 10–200-nm-diameter gold nanospheres, we calculated the plasmonic field induced by streaking pulses in the infrared and visible spectral range and developed a quantum-mechanical model for streaked photoemission by extreme ultraviolet pulses. Overall, our simulated photoelectron spectra reveal a significant amplitude enhancement and phase shift of the photoelectron streaking trace relative to calculations that exclude the induced plasmonic field. Both are most pronounced for streaking pulses tuned to the plasmon frequency and retrace the plasmonic electromagnetic field enhancement and phase shift near the nanosphere surface.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2022

Analysis of Conduction Cooling Strategies for Wire Arc Additive Manufacturing

Metal additive manufacturing (AM) processing consists of numerous parameters which take time to optimize for various geometries. One aspect of the metal AM process that continues to be explored is the control of thermal energy accumulation during component manufacturing due to the melting and solidification of the feedstock. Excessive energy accumulation causes thermal failure of the component while minimal energy accumulation causes lack of fusion with the build plate or previous layer. The ability to simulate the thermal response of an AM component can increase research efficiency by reducing the time to optimize thermal energy accumulation. This paper presents an effective implementation of finite element analysis to determine the thermal response of a wire arc additive manufactured component with various build plate sizes and cooling methods including, integral build plate cooling, oversized build plates with passive cooling, and non-integral build plate cooling. The use of integral build plate cooling channels was shown to decrease the interpass temperature at the conclusion of the build process by 55% and build plate temperature by 96% compared to the conventionally deposited sample with 20 second dwell time. The use of a tall build plate with passive cooling was shown to reduce the interpass temperature by 32% as compared to the conventionally deposited sample with 20 second dwell time. Each cooling strategy evaluated decreased the interpass temperature within a range of 20–55% which enables higher deposition rates and decreased dwell times during depositions. The cooling strategies are designed to be implemented in a hybrid or retrofit AM platform to mitigate concerns of the thermal input from the additive process having detrimental effects on the precision of the machining process. This paper shows that accurate simulations of all strategies can be used to accurately predict the thermal response of the various strategies discussed. These cooling strategies will allow for increased deposition rates with comparable interpass temperature and decreased dwell time, increasing deposition efficiency. This model and these simulations are verified by experimental results. It is concluded that passive strategies, such as the over-sized tall build plate, can be used when liquid coolant in the AM environment could negatively affect the deposition process. Active cooling strategies, such as the integral build plate cooling could be used if low thermal conductivity materials are deposited or higher material deposition rates are desired. This paper discusses the use of active and passive cooling used during AM and shows how a simulation model can be used to make design choices for cooling strategies. The model also enables verification of select critical process parameters such as dwell times for a desired interpass temperature.

Heinrich, Lauren↗