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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 379 records · Page 21
All sourcesNASA NTRSDOE OSTI
DOE OSTI2023

Precision test of gauge/gravity duality in D0-brane matrix model at low temperature

We test the gauge/gravity duality between the matrix model and type IIA string theory at low temperatures with unprecedented accuracy. To this end, we perform lattice Monte Carlo simulations of the Berenstein-Maldacena-Nastase (BMN) matrix model, which is the one-parameter deformation of the Banks-Fischler-Shenker-Susskind (BFSS) matrix model, taking both the large N and continuum limits. We leverage the fact that sufficiently small flux parameters in the BMN matrix model have a negligible impact on the energy of the system while stabilizing the flat directions so that simulations at smaller N than in the BFSS matrix model are possible. Hence, we can perform a precision measurement of the large N continuum energy at the lowest temperatures to date. The energy is in perfect agreement with supergravity predictions including estimations of α'-corrections from previous simulations. At the lowest temperature where we can simulate efficiently (T = 0.25λ 1/3 , where λ is the ’t Hooft coupling), the difference in energy to the pure supergravity prediction is less than 10%. Furthermore, we can extract the coefficient of the 1/N 4 corrections at a fixed temperature with good accuracy, which was previously unknown.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2023

The mechanism of twin thickening and the elastic strain state of TWIP steel nanotwins

A Twinning Induced Plasticity (TWIP) steel with a nominal composition of Fe-16.4Mn-0.9C-0.5Si-0.05Nb-0.05V was deformed to an engineering strain of 6%. The strain around the deformation twins were mapped using the 4D-STEM technique. Strain mapping showed a large average elastic strain of approximately 6% in the directions parallel and perpendicular to the twinning direction. However, the large average strain comprised of several hot spots of even larger strains of up to 12%. These hot spots could be attributed to a high density of sessile Frank dislocations on the twin boundary and correspond to shear stresses of 1–1.5 GPa. The strain and therefore stress fields are significantly larger than other materials known to twin and are speculated to be responsible for the early thickness saturation of TWIP steel nanotwins. The ability to keep twins extremely thin helps improve grain fragmentation, i.e. the dynamic Hall–Petch effect, and underpins the large elongations and strain hardening rates in TWIP steels.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Level structure of light neutron-rich La isotopes beyond the 𝑁 = 82 shell closure

Here, the high spin excited states of Lanthanum isotopes 140–143 La, above the 𝑁 = 82 closed shell, were populated in fission reactions. The prompt 𝛾-ray transitions were measured using two complementary methods: (a) in coincidence with the isotopically identified fragments produced in the fission of the 238 U + 9 Be system using the Variable Mode Spectrometer (VAMOS++) and the Advanced Gamma Tracking Array (AGATA) spectrometer, and (b) high statistics threefold 𝛾−𝛾−𝛾 and fourfold 𝛾−𝛾−𝛾−𝛾 coincidence data from the spontaneous fission of 252 Cf using the Gammasphere. This work reports the first identification of a pair of parity doublet structures in 143 La and the new high spin level structure in 140–142 La from prompt 𝛾-ray spectroscopy. The level structures are interpreted in terms of the systematics of neighboring odd-𝑍 nuclei above the 𝑍 = 50 shell closure and large-scale shell model calculations. The present results indicate the presence of stable octupole deformation in 143 La. The excitation energy pattern and their comparison with neighboring isotones, moving away from the 𝑁 = 82 closed shell, point towards a transition from single-particle structures to an alternating parity rotational band structure in the La isotopic chain.

Navin, A. [Centre National de la Recherche Scienti↗
DOE OSTI2022

Maximum strength and dislocation patterning in multi–principal element alloys

Multi–principal element alloys (MPEAs) containing three or more components in high concentrations render a tunable chemical short-range order (SRO). Leveraging large-scale atomistic simulations, we probe the limit of Hall-Petch strengthening and deformation mechanisms in a model CrCoNi alloy and unravel chemical ordering effects. The presence of SRO appreciably increases the maximum strength and lowers the propensity for faulting and structure transformation, accompanied by intensification of planar slip and strain localization. Deformation grains exhibit notably different microstructures and dislocation patterns that prominently depend on their crystallographic orientation and the number of active slip planes. Grain of single-planar slip attains the highest volume fraction of deformation-induced structure transformation, and grain with double-slip planes develops the densest dislocation network. These results advancing the fundamental understanding of deformation mechanisms and dislocation patterning in MPEAs suggest a mechanistic strategy for tuning mechanical behavior through simultaneously tailoring grain texture and local chemical order.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Formation of I 1 stacking fault by deformation defect evolution from grain boundaries in Mg

I 1 stacking faults (SFs) in Mg alloys are regarded as the nucleation sites of $\langle \text{c+a} \rangle$ dislocations that are critical for these alloys to achieve high ductility. Previously it was proposed that the formation of I 1 SFs requires the accumulations of a large number of vacancies, which are difficult to achieve at low temperatures. In this study, molecular dynamics (MD) and molecular statics (MS) simulations based on empirical interatomic potentials were applied to investigate the deformation defect evolutions from the symmetric tilt grain boundaries (GBs) in Mg and Mg-Y alloys under external loading along $\langle c \rangle$-axis. The results show the planar faults (PFs) on Pyramidal I planes first appear due to the nucleation and glide of $\langle {\frac {1}{2}}c + p\rangle$ partial dislocations from GBs, where $\langle p\rangle$ = ${\frac {1}{3}} \langle10\bar{1}0\rangle$. These partial dislocations with pyramidal PFs interact with other defects, including pyramidal PFs themselves, GBs, and $\langle p\rangle$ partial dislocations, generating a large amount of I 1 SFs. Detailed analyses show the nucleation and growth of I 1 SFs are achieved by atomic shuffle events and deformation defect reactions without the requirements of vacancy diffusion. Our simulations also suggest the Y clusters at GBs can reduce the critical stress for the formation of pyramidal PFs and I 1 SFs, which provide a possible reason for the experimental observations that Y promotes the $\langle{\text{c+a}}\rangle$ dislocation activities.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Folding at the Microscale: Enabling Multifunctional 3D Origami‐Architected Metamaterials

Abstract Mechanical metamaterials inspired by the Japanese art of paper folding have gained considerable attention because of their potential to yield deployable and highly tunable assemblies. The inherent foldability of origami structures enlarges the material design space with remarkable properties such as auxeticity and high deformation recoverability and deployability, the latter being key in applications where spatial constraints are pivotal. This work integrates the results of the design, 3D direct laser writing fabrication, and in situ scanning electron microscopic mechanical characterization of microscale origami metamaterials, based on the multimodal assembly of Miura‐Ori tubes. The origami‐architected metamaterials, achieved by means of microfabrication, display remarkable mechanical properties: stiffness and Poisson’s ratio tunable anisotropy, large degree of shape recoverability, multistability, and even reversible auxeticity whereby the metamaterial switches Poisson’s ratio sign during deformation. The findings here reported underscore the scalable and multifunctional nature of origami designs, and pave the way toward harnessing the power of origami engineering at small scales.

Lin, Zhaowen↗
DOE OSTI2024

Systematic uncertainty of off-shell corrections and higher-twist contribution in DIS at large x

We study the systematic uncertainty and biases introduced by theoretical assumptions needed to include large-x DIS data in a global QCD analysis. Working in the CTEQ-JLab framework, we focus on different implementations of higher-twist corrections to the nucleon structure functions and of offshell PDF deformations in deuteron targets and discuss how their interplay impacts the extraction of the d -quark PDF and the calculation of the neutron structure function at large x.

Cerutti, Matteo↗
DOE OSTI2024

Lifting of superconformal descendants in the D1-D5 CFT

We consider D1-D5-P states in the untwisted sector of the D1-D5 orbifold CFT where we excite one copy of the seed CFT with a left-moving superconformal descendant. When the theory is deformed away from this region of moduli space these states can ‘lift’, despite being BPS at the orbifold point. For descendants formed from the supersymmetry $^{Gα}_{Å,–s}$ and R-symmetry $^{Ja}_{–n}$ current modes we obtain explicit results for the expectation value of the lifts for various subfamilies of states at second order in the deformation parameter. A smooth ~ √h behaviour is observed in the lifts of these subfamilies for large dimensions. Using covering space Ward identities we then find a compact expression for the lift of the above $^{Ja}_{–n}$ descendant states valid for arbitrary dimensions. In the large-dimension limit this lift scales as ~ √h, strengthening the conjecture that this is a universal property of the lift of D1-D5-P states. We observe that the lift is not simply a function of the total dimension, but depends on how the descendant level is partitioned amongst modes.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2023

Bridging microscale to macroscale mechanical property measurements of FeCrAl alloys by crystal plasticity modeling

FeCrAl alloys are candidates for accident tolerant fuel cladding of light water reactors. In this work, a microstructure- and temperature-dependent crystal plasticity model is employed to bridge microscale to macroscale mechanical property measurements of FeCrAl alloys. With the visco-plastic self-consistent (VPSC) polycrystal plasticity framework, a mechanism-based single crystal plasticity (MSCP) model adopts the Arrhenius type rate equation to describe the dependence of the critical resolved shear stress for dislocation slips on their temperature-dependent intrinsic frictional resistance and the microstructure-dependent irradiation hardening. The intrinsic frictional resistance associated with {110}<111> and {112}<111> slip systems were measured by in-situ micromechanical testing on unirradiated/irradiated samples at 25-500 °C. The irradiation hardening is estimated by the Bacon-Kocks-Scattergood (BKS) model with density and size of radiation-induced defects measured from microstructural characterization. Several features associated with thermo-mechanical behavior of unirradiated/irradiated polycrystalline FeCrAl alloys are captured. High density of deformation-induced dislocations and radiation-induced defects results in obvious hardening at room temperature, which is weakened at high temperature, and facilitates damage evolution during deformation. Moreover, both high temperature and radiation-induced defects, which facilitate dislocation multiplication, trigger large hardening rate. Finally, the proposed method together with application of accelerator-based ion irradiation technique is a surrogate approach to simulate neutron damage, improving the efficiency associated with evaluation of mechanical properties of FeCrAl alloys exposed to temperature, stress and radiation conditions.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Grain boundary relaxation in doped nano-grained aluminum

Here, simulation studies are done to understand the role of dopants that segregate preferentially to grain boundaries on the stability of nanocrystalline aluminum. A dopant design framework based on thermodynamic principles, is used to identify the specific dopant type with the highest potential to segregate to grain boundaries in nanocrystalline aluminum. Various elements are evaluated as potential dopants and magnesium is identified to have the highest tendency to segregate to grain boundaries and release the excess free energyleading to the relaxation of the grain boundaries. A systematic combination of atomic structure analysis is then done to correlate grain boundary relaxation and the mechanical response of the magnesium-doped nanocrystalline aluminum at ambient temperature. The atomistic simulations reveal that the preferential partitioning of magnesium dopants to the grain boundaries reduces the excess volume within this region which stabilizes the nanostructure. At low contents, the magnesium dopants are observed initially partition to the grain boundaries, but once saturation of the grain boundaries is reached, excess dopants are accommodated in the crystalline interiors. It is found that the addition of the magnesium dopants even in the dilute limit, enhances the strength of the nanocrystalline aluminum. The formation of large, disordered GBs in doped nanocrystalline aluminum under tensile load allowed it to accommodate the deformation and prohibit crack growth.

36 MATERIALS SCIENCE↗
DOE OSTI2026

Persistence of collectivity in the low-lying states of 30,31 Na inside the 𝑁 = 20 island of inversion

Near the 𝛽-stability line, nuclei with magic numbers are expected to exhibit spherical ground states. However, mass measurements of neutron-rich nuclei near the 𝑁 = 20 island of inversion have indicated an excess in the binding energies. These results, together with subsequent spectroscopic studies and theoretical works, point to the structural evolution from normal configurations to intruder-deformed configurations characterized by particle-hole excitations across the shell gap. Despite evidence of intruder-dominant ground states for the 30,31 Na isotopes in the vicinity of 𝑁 = 20, a question remains as to whether the deformation persists into the ground-state bands beyond the first excited states. Here, in this work, we report on a heavy-ion inelastic scattering measurement performed with GRETINA, the TRIPLEX device, and the S800 spectrograph to study the low-lying excitations in neutron-rich 30,31 Na . The observed gamma rays for the (4 + ) → (3 + ), (3 + ) → 2$^+_{g.s.}$, and (4 + ) → 2$^+_{g.s.}$ decays in 30 Na and for the (7/2 + ) → (5/2 + ) and (5/2 + )→3/2$^+_{g.s.}$ decays in 31 Na were used to extract the reduced transition probabilities 𝐵⁡(𝐸⁢2↑). We report the first measurement of the 𝐵⁡(𝐸⁢2↑) between the 3/2$^+_{g.s.}$ and the (7/2 + ) states in 31 Na . The results from this study are compared to shell-model calculations, confirming the persistence of large collectivity in the low-lying excited states consistent with the formation of the well-deformed ground-state bands in 30,31 Na .

collective models↗
DOE OSTI2022

The Effect of Geometry, Spin, and Orbital Optimization in Achieving Accurate, Correlated Results for Iron–Sulfur Cubanes

Iron–sulfur clusters comprise an important functional motif in the catalytic centers of biological systems, capable of enabling important chemical transformations at ambient conditions. This remarkable capability derives from a notoriously complex electronic structure that is characterized by a high density of states that is sensitive to geometric changes. The spectral sensitivity to subtle geometric changes has received little attention from correlated, large active space calculations, owing partly to the exceptional computational complexity for treating these large and correlated systems accurately. Here, to provide insight into this aspect, we report the first Complete Active Space Self Consistent Field (CASSCF) calculations for different geometries of the [Fe(II/III) 4 S 4 (SMe) 4 ] -2 clusters using two complementary, correlated solvers: spin-pure Adaptive Sampling Configuration Interaction (ASCI) and Density Matrix Renormalization Group (DMRG). We find that the previously established picture of a double-exchange driven magnetic structure, with minute energy gaps (<1 mHa) between consecutive spin states, has a weak dependence on the underlying geometry. However, the spin gap between the singlet and the spin state 2S + 1 = 19, corresponding to a maximal number of Fe-d electrons being unpaired and of parallel spin, is strongly geometry dependent, changing by a factor of 3 upon slight deformations that are still within biologically relevant parameters. The CASSCF orbital optimization procedure, using active spaces as large as 86 electrons in 52 orbitals, was found to reduce this gap compared to typical mean-field orbital approaches. Our results show the need for performing large active space calculations to unveil the challenging electronic structure of these complex catalytic centers and should serve as accurate starting points for fully correlated treatments upon inclusion of dynamical correlation outside the active space.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2022

Low-Power, Flexible Sensor Arrays with Solderless Board-to-Board Connectors for Monitoring Soil Deformation and Temperature

Landslides are a global and frequent natural hazard, affecting many communities and infrastructure networks. Technological solutions are needed for long-term, large-scale condition monitoring of infrastructure earthworks or natural slopes. However, current instruments for slope stability monitoring are often costly, require a complex installation process and/or data processing schemes, or have poor resolution. Wireless sensor networks comprising low-power, low-cost sensors have been shown to be a crucial part of landslide early warning systems. Here, we present the development of a novel sensing approach that uses linear arrays of three-axis accelerometers for monitoring changes in sensor inclination, and thus the surrounding soil’s deformation. By combining these deformation measurements with depth-resolved temperature measurements, we can link our data to subsurface thermal–hydrological regimes where relevant. In this research, we present a configuration of cascaded I2C sensors that (i) have ultra-low power consumption and (ii) enable an adjustable probe length. From an electromechanical perspective, we developed a novel board-to-board connection method that enables narrow, semi-flexible sensor arrays and a streamlined assembly process. The low-cost connection method relies on a specific FR4 printed circuit board design that allows board-to-board press fitting without using electromechanical components or solder connections. The sensor assembly is placed in a thin, semi-flexible tube (inner diameter 6.35 mm) that is filled with an epoxy compound. The resulting sensor probe is connected to an AA-battery-powered data logger with wireless connectivity. We characterize the system’s electromechanical properties and investigate the accuracy of deformation measurements. Our experiments, performed with probes up to 1.8 m long, demonstrate long-term connector stability, as well as probe mechanical flexibility. Furthermore, our accuracy analysis indicates that deformation measurements can be performed with a 0.390 mm resolution and a 95% confidence interval of ±0.73 mm per meter of probe length. This research shows the suitability of low-cost accelerometer arrays for distributed soil stability monitoring. In comparison with emerging low-cost measurements of surface displacement, our approach provides depth-resolved deformation, which can inform about shallow sliding surfaces.

deformation monitoring↗
DOE OSTI2020

Impact Modeling and Testing of Pouch and Prismatic Cells

Understanding battery response under impact is critical to improve the safety of electrified vehicles. Nevertheless, predicting the impact behaviors of batteries is not straightforward since a battery cell usually contains hundreds of thin layers with dramatically different material properties and multiple physical processes occur simultaneously during cell deformation. Here we utilized both empirical tests and numerical models to capture the failure process of pouch and prismatic cells in various impact scenarios. In each test, a cell was hit once by an indenter dropped from a certain height. During which the cell penetration, loading force, voltage and temperature were monitored to characterize the cell’s response. Meanwhile, numerical models were developed to capture the coupled mechanical, electrical, electrochemical and thermal responses of batteries. In these models, the cell bulk was treated as a homogeneous part to achieve computational efficiency required by large-scale simulations, and it was represented by the geologic cap model that allows both shear and compaction deformation. Simulation results showed agreement with experimental data in essential features of cell behaviors during impact. Details of the test setup, model development and cell failure behaviors are presented in this paper. Additionally, capabilities, limitations and future improvement of the battery safety modeling are discussed.

25 ENERGY STORAGE↗
DOE OSTI2021

Hyperheavy spherical and toroidal nuclei: The role of shell structure

The properties of toroidal hyperheavy even-even nuclei and the role of toroidal shell structure are extensively studied within covariant density functional theory. The general trends in the evolution of toroidal shapes in the Z ≈ 130–180 region of the nuclear chart are established for the first time. These nuclei are stable with respect to breathing deformations. The most compact fat toroidal nuclei are located in the Z ≈ 136, N ≈ 206 region of the nuclear chart, but thin toroidal nuclei become dominant with increasing proton number and toward proton and neutron drip lines. The roles of toroidal shell structure, its regularity, supershell structure, and shell gaps as well as the role of different groups of the pairs of the orbitals in its formation are investigated in detail. The lowest in energy solutions at axial symmetry are characterized either by large shell gaps or low density of the single-particle states in the vicinity of the Fermi level in at least one of the subsystems (proton or neutron). Related quantum shell effects are expected to act against the instabilities in breathing and sausage deformations for these subsystems. The investigation with a large set of covariant energy density functionals reveals that substantial proton Z = 154 and 186 and neutron N = 228, 308, and 406 spherical shell gaps exist in all functionals. The nuclei in the vicinity of the combination of these particle numbers form the islands of stability of spherical hyperheavy nuclei. Furthermore, the study suggests that the N = 210 toroidal shell gap plays a substantial role in the stabilization of fat toroidal nuclei.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2021

The impact of alkali‐ion intercalation on redox chemistry and mechanical deformations: Case study on intercalation of Li, Na, and K ions into FePO 4 cathode

Abstract Batteries made of charge carriers from Earth‐crust abundant materials (e.g., Na, K, and Mg) have received extensive attention as an alternative to Li‐ion batteries for grid storage. However, a lack of understanding of the behavior of these larger ions in the electrode materials hinders the development of electrode structures suitable for these large ions. In this study, we investigate the impact of alkali ions (Li, Na, and K) on the redox chemistry and mechanical deformations of iron phosphate composite cathodes by using electrochemical techniques and in situ digital image correlation. Na‐ion and Li‐ion intercalation demonstrate a nearly linear correlation between electrochemical strains and the state of charge and discharge. The strain development shows nonlinear dependance on the state of charge and discharge for K ions. Strain rate calculations show that K ion intercalation results in a progressive increase in the strain rate for all cycles. Li and Na intercalation induce nearly constant strain rates with the exception of the first discharge cycle of Na intercalation. When the same amount of ions are inserted into the electrode, the electrode shows the lowest strain generation upon Li intercalation compared to larger alkali ions. Na and K ions induce similar volumetric changes in the electrode when the state of charge and discharge is around 30%. Although the electrode experiences larger absolute strain generation at the end of the discharge cycles upon Na intercalation, strain rates were found to be greater for K ions. Potential‐dependent behaviors also demonstrate more sluggish redox reactions during K intercalation, compared to Li and Na. Our quantitative analysis suggests that the strain rate, rather than the absolute value of strain, is the critical factor in amorphization of the crystalline electrode.

25 ENERGY STORAGE↗
DOE OSTI2026

Induced Magnetic Fields in LBNF Horns and DUNE-PRISM Off-Axis Neutrinos

Deep Underground Neutrino Experiment (DUNE) is a next-generation, long-baseline neutrino oscillation experiment that will utilize an intense neutrino beam from Fermilab to measure neutrino oscillation parameters with unprecedented precision. The DUNE-PRISM near detector concept employs an off-axis measurement strategy to mitigate neutrino-nucleus interaction uncertainties; however, this approach relies critically on the accurate characterization of the neutrino flux. As statistical uncertainties are suppressed in the high-intensity Long Baseline Neutrino Facility (LBNF) beam, beamline focusing uncertainties, specifically those arising from focusing horn geometry, become an important systematic uncertainty source. This work presents Geant4 LBNF beam simulations quantifying one of the most important systematic uncertainties for off-axis fluxes: the impact of manufacturing tolerances in the LBNF horns. The focusing horns consist of coaxial inner and outer conductors. Ideally, the region inside the inner conductor is field-free, while the region between the inner and outer conductors serves as the focusing region, where the magnetic field follows a nominal $1/r$ dependence. However, inner conductor deformations such as eccentricity and ellipticity introduce asymmetry, inducing unintended magnetic fields inside the field-free region. Crucially, while the on-axis neutrino flux remains largely unaffected by these induced fields, the resulting flux fractional shifts become pronounced over a particular range of off-axis positions where the DUNE-PRISM program will perform measurements. Consequently, these inner conductor deformations can impact the precision of flux predictions, which could potentially degrade the sensitivity to oscillation parameters. Possible mitigation strategies for these effects will also be presented.

Bae, Yuri [U. Minnesota, Minneapolis (main)] (ORCI↗
DOE OSTI2019

A study of velocity, temperature, and density in the plasma generated by laser-induced breakdowns

The paper presents velocity measurements of shock-induced flow field, leading to vortex generation and plasma deformation in air. Femtosecond-laser electronic excitation tagging (FLEET) velocimetry was performed at the times Δt = 3, 20, 50, and 100 µs post laser-induced breakdown. Emissions over Δt = 3–10 µs showed the propagations of the initially elliptic shock, transitioning into a spherical front. The shock emanated along the laser axis causes the flow outward, and then the pressure gradient generated by the rarefaction wave drives the inward flow at later moments, with the velocity magnitude approaching a steady-state value of 40 m s -1 . Temporal velocity evolution was compared with non-self-similar solutions behind the propagating shock, which are sensitive to the size of the energy deposition, and the use of the measured initial plasma diameter reproduced the experiment. There establishes a region of uniform velocity around 35 m s -1 in the air-flow running through the plasma, which triggers the roll-up of the plasma surface by a large-scale vortex, providing the detail of flow field evolution from the shock propagation to the plasma deformation. A collective Thomson scattering and hybrid fs/ps pure rotational coherent anti-Stokes Raman scattering (CARS) were also performed to gain insight into the high-temperature plasma. An effective electron–ion recombination rate of 2 x 10 -12 cm 3 s -1 was measured at Δt = 0.5–10 µs, during a dynamic plasma expansion and compression. When the shock resides close to the plasma at Δt = 0.5–1 µs, the temperature distributions were found to follow the similarity law.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗