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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 19 records
All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

Investigation of an octupole breathing mode of 208 Pb as a resolution to the elliptical-to-triangular azimuthal anisotropy puzzle in ultracentral relativistic heavy ion collisions

Relativistic heavy ion collisions provide a unique opportunity to probe the nuclear structure by taking an instantaneous snapshot of the colliding nuclei and converting it into momentum anisotropies of final emitted hadrons. A long-standing puzzle of too large a ratio of the elliptical-to-triangular (𝑣 2 -to-𝑣 3 ) anisotropies in ultracentral 208 Pb + 208 Pb collisions at the Large Hadron Collider (LHC) cannot be solved simply by hydrodynamic simulations with initial conditions containing the spherical or certain deformed shape of 208 Pb. Here, in this Letter, using the iEBE-VISHNU relativistic viscous hydrodynamic hybrid model simulations with the TR⁢ENTo initial condition, we show that a dynamic octupole deformation—a shape-breathing mode of 208 Pb —could potentially solve the 𝑣2-to-𝑣3 puzzle and simultaneously describe the 𝑣 3 ⁡{4} data measured in experiment. Our results highlight the unique capability of capturing transient collective properties of nuclei on yoctosecond (10 −24 s) timescales, unfeasible with low-energy nuclear reactions.

Xu, Hao-jie [Huzhou University, Zhejiang (China)] ↗
NASA NTRS2009

Radial Breathing Modes in Cosmochemistry and Meteoritics

One area of continuing interest in cosmochemistry and meteoritics (C&M) is the identification of the nature of Q-phase, although some researchers in C&M are not reporting relevant portions of Raman spectral data. Q is the unidentified carrier of noble gases in carbonaceous chondrites (CCs). Being carbonaceous, the focus has been on any number of Q-candidates arising from the sp2 hybridization of carbon (C). These all derive from various forms of graphene, a monolayer of C atoms packed into a two-dimensional (2D) hexagonal honeycomb lattice that is the basic building block for graphitic materials of all other dimensions for sp2 allotropes of C. As a basic lattice, 2D graphene can be curled into fullerenes (0D), wrapped into carbon nanotubes or CNTs (1D), and stacked into graphite (3D). These take such additional forms as scroll-like carbon whiskers, carbon fibers, carbon onions, GPCs (graphite polyhedral crystals) [6], and GICs (graphite intercalation compounds). Although all of these have been observed in meteoritics, the issue is which can explain the Q-abundances. In brief, one or more of the 0D-3D sp2 hybridization forms of C is Q. For some Q-candidates, the radial breathing modes (RBMs) are the most important Raman active vibrational modes that exist, and bear a direct relevance to solving this puzzle. Typically in C&M they are ignored when present. Their importance is addressed here as smoking-gun signatures for certain Q-candidates and are very relevant to the ultimate identification of Q.

Wilson, T.L.↗
DOE OSTI2023

Helical dislocation in twisted bilayer graphene

Here, we observe helical dislocation network in twisted bilayer graphene (tBLG), which is accompanied by large out-of-plane deformation. By atomistic calculations, we demonstrate two distinct out-of-plane deformation modes, breathing mode with small out-of-plane deformation and bending mode with one order larger corrugation magnitude compared to the breathing mode. The out-of-plane deformation is caused by inhomogeneous interlayer coupling resulting from the periodic stacking order of the tBLG moiré superlattice. Instead of commonly observed screw dislocation in tBLG, we demonstrate a slip-induced helical dislocation network in the bending mode tBLG. We show that bending mode deformation is more stable at low twist angles, as the energy savings due to interface energy exceeds the energy penalty due to the strain energy caused by the large out-of-plane deformation. Our work provides a detailed picture of a new helical dislocation structure in tBLG and establishes a direct connection between the dislocation and deformation. Therefore, understanding the dislocation mechanics of tBLG may open up the possibility to control the corrugation, and reveal an opportunity to tune the intriguing physical properties of twisted bilayer graphene.

36 MATERIALS SCIENCE↗
NASA NTRS2014

Mode Transitions in Magnetically Shielded Hall Effect Thrusters

A mode transition study is conducted in magnetically shielded thrusters where the magnetic field magnitude is varied to induce mode transitions. Three different oscillatory modes are identified with the 20-kW NASA-300MS-2 and the 6-kW H6MS: Mode 1) global mode similar to unshielded thrusters at low magnetic fields, Mode 2) cathode oscillations at nominal magnetic fields, and Mode 3) combined spoke, cathode and breathing mode oscillations at high magnetic fields. Mode 1 exhibits large amplitude, low frequency (1-10 kHz), breathing mode type oscillations where discharge current mean value and oscillation amplitude peak. The mean discharge current is minimized while thrust-to-power and anode efficiency are maximized in Mode 2, where higher frequency (50-90 kHz), low amplitude, cathode oscillations dominate. Thrust is maximized in Mode 3 and decreases by 5-6% with decreasing magnetic field strength. The presence or absence of spokes and strong cathode oscillations do not affect each other or discharge current. Similar to unshielded thrusters, mode transitions and plasma oscillations affect magnetically shielded thruster performance and should be characterized during system development.

Ground Tests↗
DOE OSTI2020

Softening of breathing elastic mode and trigonal elastic mode in the disordered pyrochlore magnet NaCaCo 2 F 7

Cobalt pyrochlore fluoride NaCaCo 2 F 7 is a disordered frustrated magnet that is composed of Co 2+ ions with an effective spin-12 magnetic moment and that exhibits spin freezing below $T_f ~$ 2.4 K. Here, we perform ultrasound velocity measurements on a single crystal of the cubic NaCaCo 2 F 7 . The temperature dependence of the bulk modulus (the breathing elastic mode) exhibits Curie-type softening upon cooling below ~20 K down to $T_f$, which is suppressed by the magnetic field. This Curie-type softening should be a precursor to the enhancement of the strength of exchange disorder via the spin-lattice coupling, which causes the spin freezing. In contrast to the magnetic-field-suppressed Curie-type softening in the bulk modulus, the trigonal shear modulus exhibits softening with a characteristic minimum upon cooling, which is enhanced by the magnetic field at temperatures below ~20 K. This magnetic-field-enhanced elastic anomaly in the trigonal shear modulus suggests a coupling of the lattice to the dynamical spin-cluster state. For NaCaCo 2 F 7 , the observed elastic anomalies reveal an occurrence of magnetic-field-induced crossover from an isostructural lattice instability toward the spin freezing to a trigonal lattice instability arising from the emergent dynamical spin-cluster state.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2021

Bond-Peierls polaron: Moderate mass enhancement and current-carrying ground state

We study polarons in the one-dimensional Bond-Peierls electron-phonon model in which phonons on bonds of a lattice modulate the hopping of electrons between lattice sites and contrast the results to those known for the breathing-mode Peierls problem. By inspecting the atomic limit, we show that polaronic dressing and mass enhancement of Bond-Peierls polarons depend on the momentum dependence of the phonons. For dispersionless phonons, Bond-Peierls polarons are perfectly localized in the atomic limit, unlike their breathing-mode counter-parts because the carrier creates a string of phonon excitations that can only be annihilated via processes that retrace the carrier to its original site. Furthermore, inclusion of phonon dispersion leads to a nondivergent polaron mass even in the atomic limit and depending on the form of the phonon dispersion may lead to a transition to a non-zero-momentum ground state akin to that found in the breathing-mode Peierls model.

1-dimensional systems↗
DOE OSTI2021

On the mechanism of ionization oscillations in Hall thrusters

Low-frequency ionization oscillations involving plasma and neutral density (breathing modes) are the most violent perturbations in Hall thrusters for electric propulsion. Because of its simplicity, the zero-dimensional (0D) predator–prey model of two nonlinearly coupled ordinary differential equations for plasma and neutral density has often been used for the characterization of such oscillations and scaling estimates. In this work, we investigate the properties of its continuum analog, the one-dimensional (1D) system of two nonlinearly coupled equations in partial derivatives (PDEs) for plasma and neutral density. This is a more general model, of which the standard 0D predator–prey model is a special limit case. We show that the 1D model is stable and does not show any oscillations for the boundary conditions relevant to Hall thrusters and the uniform ion velocity. We then propose a reduced 1D model based on two coupled PDEs for plasma and neutral densities that is unstable and exhibit oscillations if the ion velocity profile with the near-the-anode back-flow (toward the anode) region is used. Comparisons of the reduced model with the predictions of the full model that takes into account the self-consistent plasma response show that the main properties of the breathing mode are well captured. In particular, it is shown that the frequency of the breathing mode oscillations is weakly dependent on the final ion velocity but shows a strong correlation with the width of the ion back-flow region.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
NASA NTRS1990

Influence of structural and aerodynamic modeling on optimization with flutter constraint

The influences of structural and aerodynamic modeling on multidisciplinary optimization in an aeroelastic environment are not well understood. Therefore, optimizations with flutter and frequency constraints were performed to investigate the effects these modeling factors have on various representative wings. To this end, the Automated Structural Optimization System (ASTROS) was used as a tool to minimize the weight of various fully built-up finite element wing models in subsonic and supersonic flow under given flutter and frequency constraints. First, the performance of the optimization module was tested against results from other codes on a straight and uniform wing widely used for optimization with flutter constraints. Then, fully built-up finite element models of various wings with different aspect ratios were investigated for the influence on the structural optimization for minimum weight of the following modeling factors: finite element selection, structural grid refinement; number of selected modes, retention of breathing modes; selection of reduced frequencies to be used in flutter analysis; aerodynamic panel size and placement; splining of the aerodynamic grid to the structural grid selection of extra points of the structural wing box for splining; and number of constraints to be retained. Knowledge of these influences as well as of the program behavior is important, since optimization can be made more efficient by the selection of reasonable initial models. Also, it was shown previously that modeling has an impact on the results of modal and aeroelastic analyses. Thus, if modeling errors can negatively affect the analyses, a minimum weight optimization can be jeopardized and result in an optimal design that is rather unreliable. In the following, selected results are presented and the influences of some modeling parameters on optimization are pointed out.

Striz, Alfred G.↗
DOE OSTI2023

Determining the twist angle of stacked MoS 2 layers using machine learning-assisted low-frequency interlayer Raman fingerprints

The investigation of twisted stacked few-layer MoS 2 has revealed novel electronic, optical, and vibrational properties over an extended period. For the successful integration of twisted stacked few-layer MoS 2 into a wide range of applications, it is crucial to employ a noninvasive, versatile technique for characterizing the layered architecture of these complex structures. Here, in this work, we introduce a machine learning-assisted low-frequency Raman spectroscopy method to characterize the twist angle of few-layer stacked MoS 2 samples. A feedforward neural network (FNN) is utilized to analyze the low-frequency breathing mode as a function of the twist angle. Moreover, using finite difference method (FDM) and density functional theory (DFT) calculations, we show that the low-frequency Raman spectra of MoS 2 are mainly influenced by the effect of the nearest and second nearest layers. A new improved linear chain model (TA-LCM) with taking the twist angle into the consideration is developed to understand the interlayer breathing modes of stacked few-layer MoS 2 . This approach can be extended to other 2D materials systems and provides an intelligent way to investigate naturally stacked and twisted interlayer interactions.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS2012

Wall Pressure Unsteadiness and Side Loads in Overexpanded Rocket Nozzles

Surveys of both the static and dynamic wall pressure signatures on the interior surface of a sub-scale, cold-flow and thrust optimized parabolic nozzle are conducted during fixed nozzle pressure ratios corresponding to FSS and RSS states. The motive is to develop a better understanding for the sources of off-axis loads during the transient start-up of overexpanded rocket nozzles. During FSS state, pressure spectra reveal frequency content resembling SWTBLI. Presumably, when the internal flow is in RSS state, separation bubbles are trapped by shocks and expansion waves; interactions between the separated flow regions and the waves produce asymmetric pressure distributions. An analysis of the azimuthal modes reveals how the breathing mode encompasses most of the resolved energy and that the side load inducing mode is coherent with the response moment measured by strain gauges mounted upstream of the nozzle on a flexible tube. Finally, the unsteady pressure is locally more energetic during RSS, albeit direct measurements of the response moments indicate higher side load activity when in FSS state. It is postulated that these discrepancies are attributed to cancellation effects between annular separation bubbles.

Baars, Woutijn J.↗
DOE OSTI2025

Gigahertz-frequency acousto-optic phase modulation of visible light in a CMOS-fabricated photonic circuit

Optical phase modulators operating at visible wavelengths are essential components for photonic technologies such as those for quantum control, communications, and laser ranging. However, they remain challenging to implement in scalable, integrated platforms capable of handling high optical powers. Here we present a visible-light, gigahertz-frequency acousto-optic phase modulator, fabricated on a 200-mm wafer in a volume CMOS foundry, that supports greater than 500 mW of optical power at 730 nm. The device combines a piezoelectric transducer and a photonic waveguide within a single, wavelength-scale structure that confines both a propagating optical mode and an electrically excitable breathing-mode mechanical resonance. By tuning the device’s geometry to optimize the optomechanical interaction, we achieve modulation depths up to 4.85 rad with 80 mW of applied microwave power at 2.31 GHz in a 2-mm-long device. This corresponds to resonant modulation figures of merit of V π = 1.32V and V π ⋅ L = 0.26V cm. To our knowledge, this is the lowest V π ever demonstrated in any acousto-optic phase modulator and represents a 15-fold reduction in V π and a 100-fold reduction in required microwave power relative to state-of-the-art modulators with high visible-wavelength power handling commonly employed in quantum control systems.

Freedman, Jacob M. [Univ. of Arizona, Tucson, AZ (↗
DOE OSTI2022

Low-energy moiré phonons in twisted bilayer van der Waals heterostructures

We develop a low-energy continuum model for phonons in twisted moiré bilayers, based on a configuration-space approach. In this approach, interatomic force constants are obtained from density functional theory (DFT) calculations of untwisted bilayers with various in-plane shifts. This allows for efficient computation of phonon properties for any small twist angle, while maintaining DFT-level accuracy. Based on this framework, we show how the low-energy phonon modes, including interlayer shearing and layer-breathing modes, vary with the twist angle. As the twist angle decreases, the frequencies of the low-energy modes are reordered and the atomic displacement fields corresponding to phonon eigenmodes break translational symmetry, developing periodicity on the moiré length scale. Here, we demonstrate the capabilities of our model by calculating the phonon properties of three specific structures: bilayer graphene, bilayer molybdenum disulfide (MoS 2 ), and molybdenum diselenide-tungsten diselenide (MoSe 2 -WSe 2 ).

2-dimensional systems↗
DOE OSTI2025

Dissipation Pathways in a Photosynthetic Complex

Determining how energy flows within and between molecules is crucial for understanding chemical reactions, material properties, and even vital processes such as photosynthesis. While the general principles of energy transfer are well established, elucidating the specific molecular pathways by which energy is funneled remains challenging, as it requires tracking energy flow in complex molecular environments. Here, we demonstrate how photon excitation energy is partially dissipated in the light-harvesting Fenna–Matthews–Olson (FMO) complex, mediating the excitation energy transfer from light-harvesting chlorosomes to the photosynthetic reaction center in green sulfur bacteria. Specifically, we isolate the contribution of the protein and specific vibrational modes of the pigment molecules to the energy dynamics. For this, we introduce an efficient computational implementation of a recently proposed theory of dissipation pathways for open quantum systems, based on second-order perturbation theory in the electronic couplings. Using it and a state-of-the-art FMO model with highly structured and chromophore-specific spectral densities, we demonstrate that energy dissipation is dominated by low-frequency modes (<800 cm –1 ) as their energy range is near-resonance with the energy gaps between electronic states of the pigments. We identify the most important modes for dissipation to be in-plane breathing modes (∼200 cm –1 ) of the bacteriochlorophylls in the complex. Conversely, far-detuned intramolecular vibrations with higher frequencies (>800 cm –1 ) play no role in dissipation. Interestingly, the FMO complex first needs to borrow energy from the environment to release excess photonic energy, indicating that the energy exchange between the system and thermal environment is not strictly unidirectional in time but involves a transient thermally activated step. Beyond their fundamental value, these insights can guide the development of artificial light-harvesting devices and, more broadly, engineer environments for chemical and quantum control tasks.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS2018

Methodologies for Verification and Validation of Space Launch System (SLS) Structural Dynamic Models

Responses to challenges associated with verification and validation (V&V) of Space Launch System (SLS) structural dynamics models are presented in this paper. Four methodologies addressing specific requirements for V&V are discussed. (1) Residual Mode Augmentation (RMA), which has gained acceptance by various principals in the NASA community, defines efficient and accurate FEM modal sensitivity models that are useful in test-analysis correlation and reconciliation and parametric uncertainty studies. (2) Modified Guyan Reduction (MGR) and Harmonic Reduction (HR, introduced in 1976), developed to remedy difficulties encountered with the widely used Classical Guyan Reduction (CGR) method, are presented. MGR and HR are particularly relevant for estimation of "body dominant" target modes of shell-type SLS assemblies that have numerous "body", "breathing" and local component constituents. Realities associated with configuration features and "imperfections" cause "body" and "breathing" mode characteristics to mix resulting in a lack of clarity in the understanding and correlation of FEM- and test-derived modal data. (3) Mode Consolidation (MC) is a newly introduced procedure designed to effectively "de-feature" FEM and experimental modes of detailed structural shell assemblies for unambiguous estimation of "body" dominant target modes. Finally, (4) Experimental Mode Verification (EMV) is a procedure that addresses ambiguities associated with experimental modal analysis of complex structural systems. Specifically, EMV directly separates well-defined modal data from spurious and poorly excited modal data employing newly introduced graphical and coherence metrics.

Coppolino, Robert N.↗
NASA NTRS1996

Observational Consequences of Galactic Oscillations

The normal mode oscillations of galaxies we reported recently are large enough to produce observational consequences. The two lowest order modes were both very strong and long lived: the fundamental is a "breathing" mode in which the entire galaxy expands and contracts homologously, while the second radial mode is spherically symmetrical and has one radial node. A sheet of neutral hydrogen in an oscillating galaxy partakes of the general oscillations, and the resulting velocity fields would normally be interpreted in terms of warps or oval distortions. More interestingly, the second radial mode might be a dynamical driver for bulges in early-type spiral galaxies. If bulges result from a dynamical process within the galaxy, there might be other observable properties driven by the same dynamical process. The hole often reported in neutral hydrogen in early type spiral galaxies is one such candidate. It has sometimes been reported to be about the same size as the bulge. We will discuss evidence from velocity fields concerning the fundamental mode and from the coincidence of bulge and HI hole sizes as evidence for the second mode.

Miller, R. H.↗
NASA NTRS2019

Modal Analysis of the Orion Capsule Two Parachute System

As discussed in Ref [1], it is apparent from flight tests that the system made up of two main parachutes and a capsule can undergo several distinct dynamical behaviors. The most significant and problematic of these is the pendulum mode in which the system develops a pronounced swinging motion with an amplitude of up to 24 deg. Large excursions away from vertical by the capsule could cause it to strike the ground at a large horizontal or vertical speed and jeopardize the safety of the astronauts during a crewed mission. In reference [1], Ali et al. summarized a series of efforts taken by the Capsule Parachute Assembly System (CPAS) Program to understand and mitigate the pendulum issue. The period of oscillation and location of the system's pivot point are determined from post-flight analysis. Other noticeable but benign modes include: 1) flyout (scissors) mode, where the parachutes move back and forth symmetrically with respect to the vertical axis similar to the motion of a pair of scissors; 2) maypole mode, where the two parachutes circle around the vertical axis at a nearly constant radius and period; and 3) breathing mode, in which deformation of the non-rigid canopies affects the axial acceleration of the system in an oscillatory manner. Because these modes are relatively harm- less, little effort has been devoted to analyzing them in comparison with the pendulum motion. Motions of the actual system made up of two parachutes and a capsule are extremely complicated due to nonlinearities and flexibility effects. Often it is difficult to obtain insight into the fundamental dynamics of the system by examining results from a multi-body simulation based on nonlinear equations of motion (EOMs). As a part of this study, the dynamics of each mode observed during flight is derived from first principles on an individual basis by making numerous simplifications along the way. The intent is to gain a better understanding into the behavior of the complex multi-body system by studying the reduced set of differential equations associated with each mode. This approach is analogous to the traditional modal analysis technique used to study airplane flight dynamics, in which the full nonlinear behavior of the airframe is decomposed into the phugoid and short period modes for the longitudinal dynamics and the spiral, roll-subsidence, and dutch-roll modes for the lateral dynamics. It is important to note that the study does not address the mechanisms that cause the system to transition from one mode to another, nor does it discuss motions during which two or more modes occur simultaneously.

Pei, J.↗