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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 199 records · Page 11
All sourcesNASA NTRSDOE OSTI
DOE OSTI2022

A finite micro-rotation material point method for micropolar solid and fluid dynamics with three-dimensional evolving contacts and free surfaces

This paper introduces an explicit material point method designed specifically for simulating the micropolar continuum dynamics in the finite deformation and finite microrotation regime. The material point method enables us to simulate large deformation problems while circumventing the potential mesh distortion without remeshing. To eliminate rotational motion damping and loss of angular momentum during the projection, we introduce the mapping for microinertia and angular momentum between particles and grids through the affine particle-in-cell approach. The microrotation and the curvature at each particle are updated through zero-order forward integration of the microgyration and its spatial gradient. We show that the microinertia and the angular momentum are conserved during the projections between particles and grids in our formulation. We verify the formulation and implementation by comparing with the analytical dispersion relation of micropolar waves under the small strain and small microrotation, as well as the analytical soliton solution for solids undergoing large deformation and large microrotation. Additionally we also demonstrate the capacity of the proposed computational framework to handle a wide spectrum of simulations that exhibit size effects in the geometrical nonlinear regime through three representative numerical examples, i.e., a cantilever beam torsion problem, a fragment-impact penetration problem, and a micropolar fluid discharging problem.

42 ENGINEERING↗
DOE OSTI2022

A molecular dynamics survey study of impact-induced amorphization in yttria nanoparticles

The impact of a single yttria (Y 2 O 3 ) nanoparticle onto a yttria substrate was studied as a function of particle velocity (300–1200 m/s) and diameter (5–12 nm) for three particle orientations and two substrate orientations using molecular dynamics simulations. Impacts resulted in minimal dislocation motion but extensive disordering of the crystal lattice without approaching the melting temperature. The resulting amorphous microstructure was both precisely coincident with plastic strain and retained until the end of the simulation, suggesting a deformation mechanism of amorphization-facilitated viscous flow. Further analysis revealed that the degree of amorphization depended primarily on the impact velocity and secondarily on the orientations of the particle and substrate, with significant second-order effects from variable interactions.

74 ATOMIC AND MOLECULAR PHYSICS↗
DOE OSTI2021

Scanning X-Ray Diffraction Microscopy for Diamond Quantum Sensing

An understanding of nano- and microscale crystal strain in chemical-vapor-deposition diamond is crucial to the advancement of diamond quantum technologies. In particular, the presence of such strain and its characterization presents a challenge to diamond-based quantum sensing and information applications-as well as for future dark-matter detectors, where the directional information about incoming particles is encoded in crystal strain. Here, we exploit nanofocused scanning x-ray diffraction microscopy to quantitatively measure crystal deformation from defects in diamond with high spatial and strain resolution. The combination of information from multiple Bragg angles allows stereoscopic three-dimensional modeling of strain-feature geometry; the diffraction results are validated via comparison to optical measurements of the strain tensor based on spin-state-dependent spectroscopy of ensembles of nitrogen-vacancy centers in the diamond. Finally, our results demonstrate both strain and spatial resolution sufficient for directional detection of dark matter via x-ray measurement of crystal strain and provide a promising tool for diamond growth analysis and improvement of defect-based sensing.

42 ENGINEERING↗
DOE OSTI2020

Nucleon localization function in rotating nuclei

An electron localization function was originally introduced to visualize in positional space bond structures in molecules. It became a useful tool to describe electron configurations in atoms, molecules, and solids. In nuclear physics, a nucleon localization function (NLF) has been used to characterize cluster structures in light nuclei, formation of fragments in fission, and pasta phases appearing in the inner crust of neutron stars. In the case of a deformed rotating nucleus, several NLFs can be introduced, depending on the definition of the spin-quantization axis, direction of the total angular momentum, and self-consistent symmetries of the system. Contributions to the NLF from the current density, spin-current tensor density, and density gradient terms are negligible in the nuclear interior. The oscillating pattern of the simplified NLF can be explained in terms of a constructive interference between kinetic-energy and particle densities. The characteristic nodal pattern seen in the NLF in the direction of major axis of a rotating nucleus comes from single-particle orbits carrying large aligned angular momentum. The variation of the NLF along the minor axis of the nucleus can be traced back to deformation-aligned orbits.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2024

Exceptional strength and wear resistance in an AA7075/TiB 2 composite fabricated via friction consolidation

The friction consolidation method successfully reinforced aluminum 7075 alloy (AA7075) with high-volume fractions (12 and 24 vol%) of titanium diboride (TiB 2 ) by high pressure and severe plastic deformation at elevated temperatures. The consolidated AMCs have a uniform dispersion of submicron- and micron-sized TiB 2 particles in the AA7075 matrix, with significant refinement of the matrix grain size and the particles. The addition of TiB 2 significantly increases hardness by up to 50 %, Young’s modulus by up to 62 %, and ultimate tensile strength by up to 28 % to 672 MPa, while reducing ductility by 80 %. Wear resistance of 7075/24 vol% TiB 2 improves seven-fold compared to baseline, making it comparable to that of carburized steels. Microstructure-based finite element modeling provided a theoretical strength limit of ~730 MPa for the composites and indicated that high triaxiality in conjunction with severe equivalent plastic strain in a narrow area between the TiB 2 particles led to early fracture initiations, limiting the ductility.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Global study of separable pairing interaction in covariant density functional theory

A systematic global investigation of pairing properties based on all available experimental data on pairing indicators has been performed for the first time in the framework of covariant density functional theory. It is based on the separable pairing interaction. The optimization of the scaling factors of this interaction to experimental data clearly reveals its isospin dependence in the neutron subsystem. However, the situation is less certain in the proton subsystem since similar accuracy of the description of pairing indicators can be achieved both with isospin-dependent and mass-dependent scaling factors. The differences in the functional dependencies of scaling factors lead to uncertainties in the prediction of proton and neutron pairing properties which are especially pronounced at high isospin and could have a significant impact on some physical observables. For a given part of the nuclear chart the scaling factors for spherical nuclei are smaller than those for deformed ones; this feature exists also in nonrelativistic density functional theories. Furthermore, its origin is traced back to particle-vibration coupling in odd-A nuclei which is missing in all existing global studies of pairing. Although the present investigation is based on the NL5(E) covariant energy density functional (CEDF), its general conclusions are expected to be valid also for other CEDFs built at the Hartree level.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2022

Microstructural modification of a high-pressure die-cast A380 alloy through friction stir processing and its effect on mechanical properties

Aluminum alloy A380 is one of the major high-pressure die-cast (HPDC) alloys fabricated in the die casting sector. However, microstructural features such as shrinkage and gas porosity, entrapped oxide inclusions, change in the morphology of eutectic Si particles as a function of casting location, and the presence of multiple second phase particulates, especially Fe-bearing phases in HPDC A380 alloy results in limited ductility, thus, affecting its structural application. However, through proper modification of the as-cast microstructure, it is possible to improve the mechanical performance of alloy A380. In this study, we report the effect of friction stir processing (FSP), a well-known severe plastic deformation (SPD) and thermomechanical processing tool for selective microstructural modification, on A380. FSP effectively refines the as-cast microstructure and breaks down the coarse Si particles, creating a homogenized distribution of equiaxed Si particles in the aluminum matrix. Additionally, FSP eliminates porosity that acts as crack initiation sites, leading to improved mechanical strength and ductility.

Friction stir processing, Aluminum alloys, Mechani↗
DOE OSTI2020

Comments on D3-brane holography

We revisit the idea that the quantum dynamics of open strings ending on N D3-branes in the large N limit can be described at large ‘t Hooft coupling by classical closed string theory in the background created by the D3-branes in asymptotically flat spacetime. We study the resulting thermodynamics and compute the Hagedorn temperature and other properties of the D3-brane worldvolume theory in this regime. We also consider the theory in which the D3-branes are replaced by negative branes and show that its thermodynamics is well behaved. We comment on the idea that this theory can be thought of as an irrelevant deformation of $ \mathcal{N} $ = 4 SYM, and on its relation to $ T\overline{T} $ deformed CFT 2 .

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2022

Nucleon-pair truncation of the shell model for medium-heavy nuclei

Background: Establishing computationally tractable models of atomic nuclei is a long-time goal of nuclear structure physics. A flexible framework which easily includes excited states and many-body correlations is the configuration-interaction shell model (SM), but the exponential growth of the basis means one needs an efficient truncation scheme, ideally one that includes both deformation and pairing correlations. Purpose: Here, we propose an efficient truncation scheme of the SM: starting from a pair condensate variationally defined by Hartree-Fock single-particle states and the particle-number conserved Bardeen-Cooper-Schrieffer (NBCS) approximation, we carry out projection of states with good angular momentum. Methods: After generating Hartree-Fock single-particle states with Kramers degeneracy in a SM space, we optimize the pair amplitudes in the NBCS by minimizing the energy, and then use linear algebra projection (LAP) of states with good angular momentum. Both NBCS and LAP are computationally fast. Results: Our calculations yield good agreement with full configuration-interaction SM calculations for low-lying states of transitional and rotational nuclei with axially symmetric and triaxial deformation in medium- and heavy-mass regions: 44,46,48 Ti, 48,50 Cr, 52 Fe, 60,62,64 Zn, 66,68 Ge, 68 Se, and 108,110 Xe. We predict low-lying states of 112–114 Ba and 116–120 Ce, nuclei difficult to reach by large-scale SM calculations. Conclusions: Both pair correlation and the configuration mixing between different intrinsic states play a key role in reproducing collectivity and shape coexistence, demonstrating the utility of this truncation scheme of the SM to study transitional and deformed nuclei.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2023

Relevance of structural defects to the mechanism of mechanical deformation in metallic glasses

Abstract It is known that deformation in disordered materials such as metallic glasses and supercooled liquids occurs via the cooperative rearrangement of atoms or constituent particles at dynamical heterogeneities, commonly regarded as point-like defects. We show via molecular-dynamics simulations that there is no apparent relationship between atomic rearrangements and the local atomic environment as measured by the atomic-level stresses, kinetic and potential energies, and the per-atom Voronoi volume. In addition, there is only a weak correlation between atomic rearrangements and the largest and smallest eigenvalues of the dynamical matrix. Our results confirm the transient nature of dynamical heterogeneities and suggest that the notion of defects may be less relevant than that of a propensity for rearrangement.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Nanoscale interfacial melting enables bonding during high velocity microparticle impacts

Melting during high-velocity particle impact has been understood to be typically detrimental to bonding by lowering the strength at the interface and promoting rebound before solidification can occur. Here we establish a possible remedy to this challenge: by dramatically restricting the volume of molten material, its resolidification is accelerated, effectively forming a nanoscale, braze-type joint during impact. In-situ single particle impact imaging is combined with post-mortem structural and chemical analyses to reveal a regime where adhesion is governed not by extensive plastic deformation, but by the kinetics of melt layer resolidification. Furthermore, these findings redefine the role of melting in impact-based processes, establishing transient melting and rapid solidification as a viable strategy for engineering successful adhesion events.

Additive manufacturing↗
DOE OSTI2023

Real-time spin systems from lattice field theory

We construct a lattice field theory method for computing the real-time dynamics of spin systems in a thermal bath. This is done by building on previous work of Takano with Schwinger-Keldysh and functional differentiation techniques. We derive a Schwinger-Keldysh path integral for generic spin Hamiltonians, then demonstrate the method on a simple system. Our path integral has a sign problem, which generally requires exponential run time in the system size, but requires only linear storage. The latter may place this method at an advantage over exact diagonalization, which is exponential in both. Our path integral is amenable to contour deformations, a technique for reducing sign problems.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2022

Fracturing in Wet Granular Media Illuminated by Photoporomechanics

Here, we study fluid-induced deformation and fracture of granular media and apply photoporomechanics to uncover the underpinning grain-scale mechanics. We fabricate spherical photoelastic particles of 2-mm diameter to form a monolayer granular pack in a circular Hele-Shaw cell that is initially filled with a viscous fluid. The key distinct feature of our system is that, with spherical particles, the granular pack has a connected pore space, thus allowing for pore-pressure diffusion and the study of effective stress in coupled poromechanical processes. We inject air into the fluid-filled photoelastic granular pack, varying the initial packing density and confining weight. With our recently developed experimental technique, photoporomechanics, we find two different modes of fluid invasion: fracturing in fluid-filled elastic media (with strong photoelastic response) and viscous fingering in frictional fluids (with weak or negligible photoelastic response). We directly visualize the evolving effective stress field and discover an effective stress shadow behind the propagating fracture tips, where the granular pack exhibits undrained behavior. We conceptualize the behavior of the system by means of a mechanistic model for a wedge of the granular pack bounded by two growing fractures. The model captures the pore-pressure build-up inside the stress shadow region and the grain compaction in the annular region outside. Our model reveals that a jamming transition determines the distinct rheological behavior of the wet granular pack, from a friction-dominated to an elasticity-dominated response.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2026

Lifetimes of negative parity states in 162 Dy

Lifetimes of excited states in 162 Dy were measured using the (n,n’$γ$) reaction with the Doppler-Shift Attenuation Method (DSAM) at the University of Kentucky’s Accelerator Laboratory. A total of eighteen level lifetimes were obtained, including eleven negative-parity states, seven of which are new. These measurements significantly expand the experimental database of transition probabilities for negative-parity bands in the well-deformed rare earth region of nuclei. The extracted B(E1) and B(E2) values reveal enhanced interband E1 (10 -3 or 10 -4 ) W.u. and E2 strengths (several W.u.) between negative- and positive parity bands, particularly for the K π = $2^{-}_{1,2}$ bands decaying to the K π = $2^+_γ$ band, consistent with signatures of octupole-quadrupole coupling. In contrast, the K π = $0^{-}_1$ and K π = $1^{-}_3$ bands, which exhibit strong E1 transitions to the ground state band, are indicative of octupole-vibrational excitations built on the deformed ground state. Comparison of transition rates with Alaga rules supports this interpretation and distinguishes collective excitations from likely quasi-particle states. These new results establish 162 Dy as the most extensively characterized rare-earth nucleus for negative parity lifetimes and provide critical experimental benchmarks for theoretical models.

Aprahamian, A. [University of Notre Dame, IN (Unit↗
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 OSTI2025

Meshfree simulation and prediction of recrystallized grain size in friction stir processed 316L stainless steel

Friction stir processing (FSP) is a promising solid-phase microstructural modification technique that can repair and enhance damaged stainless steel surfaces exposed to harsh environments. The quality of the repaired material is closely correlated to the recrystallized grain size in the stir zone (SZ), which is influenced by the thermomechanical conditions dictated by FSP process parameters. Thus, establishing a reliable relationship between these parameters and recrystallized grain size in the SZ is crucial for optimizing repair quality. However, existing experimental approaches often rely on indirect temperatures measured far from the SZ, along with rough strain rate estimations, which are imprecise and time-consuming. Meanwhile, existing mesh-based modeling methods usually face numerical challenges when dealing with the large material deformations inherent in FSP. Here, to address these issues, this study introduces a meshfree process model for FSP based on the smoothed particle hydrodynamics (SPH) method, aimed at predicting process conditions under different parameters. The model is validated using experimental data from 11 combinations of tool traverse and rotation speeds on 316 L stainless steel. Correlations between process parameters, material flow, temperature, strain, strain rate, and recrystallized grain size are revealed through SPH simulations and electron backscatter diffraction (EBSD) imaging. The results show that in situ SZ temperatures range from 1071 to 1322°C, which exceed the tool temperature by over 300°C. Furthermore, SZ temperature, strain rate, and grain size increase monotonically with higher tool temperature and faster traverse speed. A relationship is then established between the model-predicted Zener-Hollomon parameter and the recrystallized grain size based on EBSD data, expressed as ln(d) = -0.364 ln(Z) + 14.673. Finally, this relationship exhibits satisfactory accuracy with errors of less than 26.9% in predicting grain sizes at various SZ locations, which offers valuable insights for optimizing FSP repair processes for 316 L stainless steel.

316L stainless steel↗
DOE OSTI2024

Strengthening mechanisms for microstructures containing unimodal and bimodal γ' precipitates in ATI 718Plus

Here, the influence of γ' precipitate size distribution on the deformation mechanisms under tensile loading in ATI 718Plus was studied. A set of aging treatments within the temperature range of 720 °C–900 °C was performed on solution-treated samples to obtain various γ' precipitate size distributions. Unimodal and bimodal γ' precipitate size distributions were achieved through single-step and two-step aging sequences, respectively, and such microstructures were tensile tested to failure to assess their yield strength, ultimate tensile strength, and elongation-to-failure. Some of the tensile samples were interrupted after achieving 3–4 % plastic strain, and the deformed microstructures were examined using transmission electron microscopy to investigate the γ' precipitate-dislocation interactions. For the unimodal γ' precipitate size distribution samples with the smaller γ' precipitates (radius ~ 7 nm), dislocations sheared through the precipitates. Both dislocation loops and paired dislocations were observed for the microstructures containing larger γ' precipitates (radius ~ 24 nm). The microstructure containing a bimodal γ' precipitate size distribution, which included average γ' precipitate radii of ~6 nm and ~28 nm, exhibited shearing as the dominant deformation mechanism, and this microstructure exhibited the highest strength values. The experimental observations were rationalized based on the theoretically-calculated critical resolved shear stress values for shearing and looping and a modified model for predicting the yield strength for bimodal microstructures was introduced.

36 MATERIALS SCIENCE↗