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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 253 records · Page 14
All sourcesNASA NTRSDOE OSTI
DOE OSTI2021

Gaussian-preserved, non-volatile shape morphing in three-dimensional microstructures for dual-functional electronic devices

Motile plant structures such as Mimosa pudica leaves, Impatiens glandulifera seedpods, and Dionaea muscipula leaves exhibit fast nastic movements in a few seconds or less. This motion is stimuli-independent mechanical movement following theorema egregium rules. Artificial analogs of tropistic motion in plants are exemplified by shape-morphing systems, which are characterized by high functional robustness and resilience for creating 3D structures. However, all shape-morphing systems developed so far rely exclusively on continuous external stimuli and result in slow response. Here, we report a Gaussian-preserved shape-morphing system to realize ultrafast shape morphing and non-volatile reconfiguration. Relying on the Gaussian-preserved rules, the transformation can be triggered by mechanical or thermal stimuli within a microsecond. Moreover, as localized energy minima are encountered during shape morphing, non-volatile configuration is preserved by geometrically enhanced rigidity. Using this system, we demonstrate a suite of electronic devices that are reconfigurable, and therefore, expand functional diversification.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Reversible two-way tuning of thermal conductivity in an end-linked star-shaped thermoset

Polymeric thermal switches that can reversibly tune and significantly enhance their thermal conductivities are desirable for diverse applications in electronics, aerospace, automotives, and medicine; however, they are rarely achieved. Here, we report a polymer-based thermal switch consisting of an end-linked star-shaped thermoset with two independent thermal conductivity tuning mechanisms—strain and temperature modulation—that rapidly, reversibly, and cyclically modulate thermal conductivity. The end-linked star-shaped thermoset exhibits a strain-modulated thermal conductivity enhancement up to 11.5 at a fixed temperature of 60 °C (increasing from 0.15 to 2.1 W m –1 K –1 ). Additionally, it demonstrates a temperature-modulated thermal conductivity tuning ratio up to 2.3 at a fixed stretch of 2.5 (increasing from 0.17 to 0.39 W m –1 K –1 ). When combined, these two effects collectively enable the end-linked star-shaped thermoset to achieve a thermal conductivity tuning ratio up to 14.2. Moreover, the end-linked star-shaped thermoset demonstrates reversible tuning for over 1000 cycles. The reversible two-way tuning of thermal conductivity is attributed to the synergy of aligned amorphous chains, oriented crystalline domains, and increased crystallinity by elastically deforming the end-linked star-shaped thermoset.

42 ENGINEERING↗
DOE OSTI2022

Coarse-grained molecular dynamics integrated with convolutional neural network for comparing shapes of temperature sensitive bottlebrushes

Quantification of shape changes in nature-inspired soft material architectures of stimuli-sensitive polymers is critical for controlling their properties but is challenging due to their softness and flexibility. Here, we have computationally designed uniquely shaped bottlebrushes of a thermosensitive polymer, poly(N-isopropylacrylamide) (PNIPAM), by controlling the length of side chains along the backbone. Coarse-grained molecular dynamics simulations of solvated bottlebrushes were performed below and above the lower critical solution temperature of PNIPAM. Conventional analyses (free volume, asphericity, etc.) show that lengths of side chains and their immediate environments dictate the compactness and bending in these architectures. We further developed 100 unique convolutional neural network models that captured molecular-level features and generated a statistically significant quantification of the similarity between different shapes. Thus, our study provides insights into the shapes of complex architectures as well as a general method to analyze them. The shapes presented here may inspire the synthesis of new bottlebrushes.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Chemically controlled shape-morphing of elastic sheets

Two-dimensional responsive materials that change shape into complex three-dimensional structures are valuable for creating systems ranging from wearable electronics to soft robotics. Typically, the final 3D structure is unique and predetermined through the materials’ processing. Here, we use theory and simulation to devise a distinctive approach for driving shape changes of 2D elastic sheets in fluid-filled microchambers. The sheets are coated with catalyst to generate controllable fluid flows, which transform the sheets into complex 3D shapes. A given shape can be achieved by patterning the arrangement of the catalytic domains on the sheet and introducing the appropriate reactant to initiate a specific catalytic reaction. Moreover, a single sheet that encompasses multiple catalytic domains can be transformed into a variety of 3D shapes through the addition of one or more reactants. Materials systems that morph on-demand into a variety of distinct structures can simplify manufacturing processes and broaden the utility of soft materials.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Effect of material composition of diamond field emission array cathodes on quality of transversely shaped beams

Diamond field emitter array field emission cathodes (DFEA FECs) are attractive for the next generation of injectors due to their ability to produce transversely shaped beams without the need for complex masking or laser schemes. However, reliability of this cathode technology remains a challenging issue as principal mechanisms guiding and allowing for output beam shaping remained poorly understood. Here, this paper reports the results of testing two DFEA FECs with the same pattern and emitter tip geometry. Although both cathodes were able to sustain gradients of 44 MV/m and produce maximum output integral charge of 0.5 nC per radio frequency pulse, their emission patterns were different. One cathode did not produce a shaped beam, while the other one did. This difference was explained by the extent of the local variations of the diamond material across the arrays as discovered by spatially resolved Raman spectroscopy. The main practical takeaways were (i) tip sharpness was not a prerequisite for producing a shaped beam and instead (ii) material characteristics resulting in different cathode ballast resistance affected emission spatial uniformity across the array and hence the beam shaping.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Ab initio quantum scattering calculations and a new potential energy surface for the HCl( X 1Σ+)–O2(X3Σg−) system: Collision-induced line shape parameters for O2-perturbed R(0) 0–0 line in H35Cl

The remote sensing of abundance and properties of HCl—the main atmospheric reservoir of Cl atoms that directly participate in ozone depletion—is important for monitoring the partitioning of chlorine between “ozone-depleting” and “reservoir” species. Such remote studies require knowledge of the shapes of molecular resonances of HCl, which are perturbed by collisions with the molecules of the surrounding air. In this work, we report the first fully quantum calculations of collisional perturbations of the shape of a pure rotational line in H35Cl perturbed by an air-relevant molecule [as the first model system we choose the R(0) line in HCl perturbed by O2]. The calculations are performed on our new highly accurate HCl(X1Σ+)–O2(X3Σg−) potential energy surface. In addition to pressure broadening and shift, we also determine their speed dependencies and the complex Dicke parameter. This gives important input to the community discussion on the physical meaning of the complex Dicke parameter and its relevance for atmospheric spectra (previously, the complex Dicke parameter for such systems was mainly determined from phenomenological fits to experimental spectra and the physical meaning of its value in that context is questionable). We also calculate the temperature dependence of the line shape parameters and obtain agreement with the available experimental data. We estimate the total combined uncertainties of our calculations at 2% relative root-mean-square error in the simulated line shape at 296 K. This result constitutes an important step toward computational population of spectroscopic databases with accurate ab initio line shape parameters for molecular systems of terrestrial atmospheric importance.

Chemistry↗
DOE OSTI2024

Explicit simulation of the Brownian rotation of arbitrary shaped aerosol particles using quaternions

The shape of an aerosol particle strongly influences its mass and momentum transfer cross-sections, charging properties, and other physical properties. Here, we present an explicit time-stepping procedure to simulate the rotational Brownian motion of arbitrary shaped aerosol particles by solving Euler’s equation of rotation. A Langevin formulation of the rotation equations is used, wherein Brownian motion due to thermal collisions between a particle and background gas molecules is represented using a stochastic fluctuating torque and fluid resistance is included as a drag torque. To avoid singularities associated with describing the orientation of a shape with Euler angles, we employ a quaternion formulation that leads to first-order stochastic differential equations to describe the evolution of the angular position and angular velocity of a rigid body. We perform all the rotational dynamics calculations in the body-fixed frame of reference attached to the rotating shape whose basis vectors are the normalized eigenvectors of the inertia tensor of the particle. Numerical solutions to rotation under torque-free conditions, damped rotation without Brownian motion, and stochastic rotation for arbitrary shapes are presented and discussed. The presented method enables time-resolved simulation of Brownian rotation for direct comparison with experimentally measured trajectories or statistical measures. The second order accuracy of the used time-stepping procedure places a severe restriction on the timestep that can be used for obtaining accurate results. Animations of presented simulations are included for visualizing rotational motion at various gas pressures. To aid implementation, MATLAB ® codes are also provided. Extension to include translation Brownian motion is straightforward.

Roy, Mrittika↗
DOE OSTI2020

Correlations between triaxial shapes and formation history of dark matter haloes

ABSTRACT The shape of dark matter (DM) haloes plays a critical role in constraining cosmology with upcoming large-scale structure surveys. In this paper, we study the correlations between the triaxial shapes and formation histories in DM haloes in the MultiDark Planck 2 N-body cosmological simulation. We find that halo ellipticity is strongly correlated with halo properties that serve as proxies of halo formation history, such as halo concentration and the normalized peak-centroid offset. These correlations are nearly independent of the halo density peak height. We present a simple model for the correlation between halo ellipticity and concentration using conditional abundance matching, and provide fitting formulae for the multidimensional distributions of triaxial halo shape as a function of halo peak height. We apply our halo shape model to gauge the effects of halo ellipticity and orientation bias on the excess surface mass density profiles in cluster-sized haloes. Our model should be useful for exploring the impact of triaxial halo shape on cosmological constraints in upcoming weak lensing surveys of galaxy clusters.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2022

RRab variables with identical light-curve shapes at different pulsation periods

In this paper, we report on the detection of RRab stars with quasi-identical-shape light curves but period differences as large as 0.05–0.21 d using the Galactic bulge data of the OGLE-IV survey. We have examined stars with shorter periods than the Oosterhoff I ridge of the bulge. These stars generally have smaller amplitudes and larger Fourier phase-differences than the typical bulge RRab stars have at the same period. Many of these ‘anomalous’ stars have good-quality light curves without any sign of the Blazhko modulation. Examining their Fourier parameters revealed that several of these stars show very similar light curve to the typical bulge RR Lyrae. We found hundreds of quasi-identical-shape light-curve pairs with different periods between the ‘anomalous’- and the ‘normal’-position RRab stars based on the OGLE I-band data. The OGLE V-band, and the archive VVV and MACHO surveys K s -, b- and r -band data of these stars were also checked for light-curve-shape similarity. Finally, 149 pairs with identical-shape light curves in each available photometric band were identified. Calculating the physical properties of the variables using empirical formulae, on average, −0.5 dex, −0.13 mag, 0.67, and 165 K differences between the [Fe/H], M V , R/R ⊙ , and T eff values of the members of the pairs are derived, being the short-period stars less metal-poor, fainter, smaller, and hotter than the long-period variables. To explain the existence of variables with different physical properties and pulsation periods but with identical-shape light curves is a challenging task for modelling.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2026

Multiple shape coexistence near {sup 118}Sn: First 0+ 3 lifetime measurement

The intruder bands in Sn isotopes, built on the 2p-2h excitation across the Z = 50 proton shell gap, are well-known examples of shape coexistence near the neutron mid-shell region. Spectroscopic signatures for shape coexistence include enhanced E0 transitions between the 0+ band heads. However, the underlying shape coexistence and mixing has been unclear because lifetime information for the excited 0+ states was incomplete in 118Sn. We thus present here the first measurement of the 0+ 3 lifetime in 118Sn using the fast-timing technique following thermal-neutron capture. The observed enhancement in ρ2(E0;0+ 3 → 0+ 2 ) of 150(30) milliunits provides compelling indications for multiple shape coexistence in 118Sn. Additionally, three distinct shapes in 116,118,120Sn naturally emerged in theoretical calculations based on the quantum-number-projected generator coordinate method employing a relativistic energy density functional.

Wu, F.↗
DOE OSTI2020

Landscape of pear-shaped even-even nuclei

The phenomenon of reflection-asymmetric nuclear shapes is relevant to nuclear stability, nuclear spectroscopy, nuclear decays and fission, and the search for new physics beyond the standard model. Global surveys of ground-state octupole deformation, performed with a limited number of models, suggest that the number of pear-shaped isotopes is fairly limited across the nuclear landscape. Here, we carry out a global analysis of ground-state octupole deformations for particle-bound even-even nuclei with Z ≤ 110 and N ≤ 210 using nuclear density functional theory (DFT) with several nonrelativistic and covariant energy density functionals. In this way, we can identify the best candidates for reflection-asymmetric shapes. The calculations are performed in the frameworks of axial reflection-asymmetric Hartree-Fock-Bogoliubov theory and relativistic Hartree-Bogoliubov theory using DFT solvers employing harmonic oscillator basis expansion. We consider five Skyrme and four covariant energy density functionals. We predict several regions of ground-state octupole deformation. In addition to the “traditional” regions of neutron-deficient actinide nuclei around 224 Ra and neutron-rich lanthanides around 146 Ba, we identified vast regions of reflection-asymmetric shapes in very neutron-rich nuclei around 200 Gd and 288 Pu, as well as in several nuclei around 112 Ba. Our analysis suggests several promising candidates with stable ground-state octupole deformation, primarily in the neutron-deficient actinide region, that can be reached experimentally. Detailed comparison between Skyrme and covariant models is performed. Octupole shapes predicted in this study are consistent with the current experimental information. This work can serve as the starting point of a systematic search for parity doublets in odd-mass and odd-odd nuclei, which will be of interest in the context of new physics searches.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2021

Microscopic origin of reflection-asymmetric nuclear shapes

The presence of nuclear ground states with stable reflection-asymmetric shapes is supported by rich experimental evidence. Theoretical surveys of odd-multipolarity deformations predict the existence of pear-shaped isotopes in several fairly localized regions of the nuclear landscape in the vicinity of near-lying single-particle shells with Δℓ = Δj = 3. We analyze the role of isoscalar, isovector, neutron-proton, neutron-neutron, and proton-proton multipole interaction energies in inducing the onset of reflection-asymmetric ground-state deformations. The calculations are performed in the framework of axial reflection-asymmetric Hartree-Fock-Bogoliubov theory using two Skyrme energy-density functionals and density-dependent pairing force. We show that reflection-asymmetric ground-state shapes of atomic nuclei are driven by the odd-multipolarity neutron-proton (or isoscalar) part of the nuclear interaction energy. This result is consistent with the particle-vibration picture, in which the main driver of octupole instability is the isoscalar octupole-octupole interaction giving rise to large E3 polarizability. The necessary condition for the appearance of localized regions of pear-shaped nuclei in the nuclear landscape is the presence of parity doublets involving Δℓ = Δj = 3 proton or neutron single-particle shells. This condition alone is, however, not sufficient to determine whether pear shapes actually appear, and, if so, what the corresponding reflection-asymmetric deformation energies are. The predicted small reflection-asymmetric deformation energies result from dramatic cancellations between even- and odd-multipolarity components of the nuclear binding energy.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2023

Prolate-Oblate Asymmetric Shape Phase Transition in the Interacting Boson Model with SU(3) Higher-Order Interactions

Prolate-oblate shape phase transition is an interesting topic in nuclear structure, which is useful for understanding the intrinsic interactions between nucleons. Recently, the interacting boson model with SU(3) higher-order interactions was proposed, in which the prolate shape and the oblate shape are not described in a mirror symmetric way. This asymmetric description seems more realistic. The level evolutions, B(E2) values, and other important indicators showing the prolate-oblate asymmetric transitions are investigated in detail, and realistic structure evolutions from 180Hf to 200Hg are compared. A key finding is that the average deformation of the prolate shape is nearly twice the one of the oblate shape. These results, together with the successful description of the B(E2) anomaly in 168,170Os, 172Pt, the γ -soft properties of 196Pt, 82Kr, and the normal states of 110Cd, support the validity of the new model.

Wang, Tao↗
DOE OSTI2023

Microsecond Isomer at the N = 20 Island of Shape Inversion Observed at FRIB

Excited-state spectroscopy from the first experiment at the Facility for Rare Isotope Beams (FRIB) is reported. A 24(2)-μs isomer was observed with the FRIB Decay Station initiator (FDSi) through a cascade of 224- and 401-keV γ rays in coincidence with 32 Na nuclei. This is the only known microsecond isomer (1 μs ≤T 1/2 <1 ms) in the region. This nucleus is at the heart of the N=20 island of shape inversion and is at the crossroads of the spherical shell-model, deformed shell-model, and ab initio theories. It can be represented as the coupling of a proton hole and neutron particle to 32 Mg, 32 Mg+π -1 +ν +1 . This odd-odd coupling and isomer formation provides a sensitive measure of the underlying shape degrees of freedom of 32 Mg, where the onset of spherical-to-deformed shape inversion begins with a low-lying deformed 2 + state at 885 keV and a low-lying shape-coexisting 0$^+_2$ state at 1058 keV. Here, we suggest two possible explanations for the 625-keV isomer in 32 Na: a 6 - spherical shape isomer that decays by E2 or a 0 + deformed spin isomer that decays by M2. The present results and calculations are most consistent with the latter, indicating that the low-lying states are dominated by deformation.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2023

Heat Transfer and Pressure Loss of Additively Manufactured Internal Cooling Channels With Various Shapes

Abstract Additive manufacturing (AM) provides the ability to fabricate highly customized internal cooling passages that are relevant to gas turbine components. This experimental study examines the pressure loss and heat transfer performance of a range of fundamental channel shapes that were produced using direct metal laser sintering. Circular, hexagonal, pentagonal, elliptical, diamond, square, rectangular, trapezoidal, and triangular channel cross sections were investigated. To maintain the same convective surface area between shapes, the wetted perimeters of the channel cross sections were kept constant. Parallel computational fluid dynamic simulations were performed to understand the relationships in cooling performance between several channel shapes. Several characteristic length scales were evaluated to scale the pressure loss and heat transfer measurements. Among the channel shapes investigated, the diamond channel showed the lowest Nusselt number and friction factor. The pentagon exhibited a similar Nusselt number as the circular channel despite having a lower friction factor. There was no difference in scaling the friction factor or Nusselt number results of the different channel shapes between using the square root of cross-sectional area compared to hydraulic diameter as the characteristic length scale

Engineering↗
DOE OSTI2022

Extending the Gutowski model to kidney-bean and elliptically shaped fibers

Efforts by manufacturers to produce more cost-effective carbon fibers have resulted in fibers with irregular cross-section often referred to as kidney-bean shaped fibers. In this research, compaction experiments were performed with a modified laser light section method to evaluate the compaction behavior of kidney-bean shaped carbon fibers. The kidney-bean shaped fibers followed a different compaction behavior compared to the Gutowski model for circular fibers. Additionally, these fibers required an order of magnitude larger force to compact than circular fibers to achieve similar fiber volume fraction, which has implications in infiltration and consolidation efficiency for composites manufacturing. A shape correction factor based on the fiber cross-sectional aspect ratio was proposed to extend the Gutowski model to fibers with irregular cross-sectional shapes. The modified Gutowski model provided an appropriate order of magnitude fit for the kidney-bean fibers. Furthermore, this modification to the Gutowski model recovered the original solution for circular fibers (cross-sectional aspect ratio = 1).

Materials Science↗
DOE OSTI2025

Aerodynamic Sensitivities over Separable Shape Tensors

Here, we present a comprehensive aerodynamic sensitivity analysis of airfoil parameterization informed by separable shape tensors. This parameterization approach uniquely benefits the design process by isolating various well-studied shape characteristics, such as airfoil thickness, and providing a well-regulated low-dimensional parameter domain for aerodynamic designs. Exploring the aerodynamic sensitivities of this novel parameterization can provide valuable insights for more robust designs and future manufacturing efforts. We construct a data-driven parameter space of airfoils using principal geodesic analysis of separable shape tensors informed by a curated database containing almost 20,000 suitable engineering airfoils. Analyzing the shape reconstruction error and the maximum mean discrepancy between joint distributions of aerodynamic quantities, we study the dimensionality of the learned parameter space. This simple numerical experiment demonstrates a dramatic dimension reduction that retains design effectiveness and promotes regularity of the shape representations. Finally, we generate new airfoils and use the HAM2D Reynolds-averaged Navier–Stokes solver to predict lift, drag, and moment coefficients. We compute multiple sensitivity metrics to quantify and assert the consistency of parameter influence on the aerodynamic quantities. We also explore low-dimensional polynomial ridge approximations to motivate physical intuitions and offer explanations of the approximated sensitivities.

17 WIND ENERGY↗
NASA NTRS1978

Surface-crack shape change in bending fatigue using an inexpensive resonant fatiguing apparatus

An inexpensive device for producing surface cracks of controlled size and shape is described along with results of its use which show how the shape of the surface crack changes as it grows in bending fatigue from a variety of crack starter shapes. The growth pattern for any crack is uniquely defined by the crack starter configuration and appears to be independent of alloy. Shape changes are substantial and all growth curves tend toward a common growth curve. Circular cracks tend to become elliptical with an associated increase in stress intensity factor. This increase accelerates the crack growth rate and proximity to the critical flaw size. Through-cracks produced by the extension of a surface crack in a bending stress field will have length ten times the section thickness. The results demonstrate the necessity of taking into account changing crack shape in the calculation of structural life when bending is a significant component of the stress field.

Pierce, W. S.↗