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DOE OSTI2025

Ion dynamics in hexagonal boron nitride ionogel electrolytes

Ionogel electrolytes incorporating exfoliated hexagonal boron nitride (hBN) nanoplatelets are promising materials for next-generation energy storage systems. However, detailed understanding of their ion transport properties at the molecular level remains limited. This study employs diffusion and relaxation nuclear magnetic resonance (NMR) techniques, including fast-field cycling (FFC) NMR, to investigate the dynamics of ionic species in hBN-ionogels. By spanning a broad frequency range from 30 kHz using FFC NMR to high-field NMR (500–800 MHz), we reveal distinct relaxation mechanisms governing ion dynamics in ionogels with and without lithium salts. Our results highlight the role of hBN in modulating molecular rotation and translational motion, significantly affecting 1 H and 19 F relaxation profiles. The presence of Li + alters the dynamic behavior in ionogels, enhancing anion mobility at the interface. Notably, 7 Li relaxation reveals strong interactions with the hBN surface that cannot be detected by diffusion NMR. Furthermore, these findings underscore the importance of spanning a broad frequency range in NMR studies of ionogels and provide critical insights into optimizing their design as novel electrolytes.

Electrolytes↗

NASA NTRS2013

Reconstruction of the Mars Science Laboratory Parachute Performance and Comparison to the Descent Simulation

The Mars Science Laboratory used a single mortar-deployed disk-gap-band parachute of 21.35 m nominal diameter to assist in the landing of the Curiosity rover on the surface of Mars. The parachute system s performance on Mars has been reconstructed using data from the on-board inertial measurement unit, atmospheric models, and terrestrial measurements of the parachute system. In addition, the parachute performance results were compared against the end-to-end entry, descent, and landing (EDL) simulation created to design, develop, and operate the EDL system. Mortar performance was nominal. The time from mortar fire to suspension lines stretch (deployment) was 1.135 s, and the time from suspension lines stretch to first peak force (inflation) was 0.635 s. These times were slightly shorter than those used in the simulation. The reconstructed aerodynamic portion of the first peak force was 153.8 kN; the median value for this parameter from an 8,000-trial Monte Carlo simulation yielded a value of 175.4 kN - 14% higher than the reconstructed value. Aeroshell dynamics during the parachute phase of EDL were evaluated by examining the aeroshell rotation rate and rotational acceleration. The peak values of these parameters were 69.4 deg/s and 625 deg/sq s, respectively, which were well within the acceptable range. The EDL simulation was successful in predicting the aeroshell dynamics within reasonable bounds. The average total parachute force coefficient for Mach numbers below 0.6 was 0.624, which is close to the pre-flight model nominal drag coefficient of 0.615.

Cruz, Juan R.↗

NASA NTRS1984

Structure and dynamics of Saturn's atmosphere

The large-scale structure and dynamics of Saturn's atmosphere, as revealed in the visible markings, wind patterns, and horizontal variation of temperature, are discussed. The large-scale thermal structure is addressed, including the mean vertical structure and the seasons and jets of the horizontal temperature structure. Earth-based and Voyager wind observations are used to discuss the internal rate of rotation, the zonal wind profile, the eddies, and the eddy transport. Dynamic models of the atmospheric circulation are reviewed, discussing the depth of the zonal flow, upwelling and downwelling, deep convection, eddy-mean flow interactions, long-lived ovals, and the zonal velocity profile.

Ingersoll, A. P.↗

DOE OSTI2023

Barless flocculent galaxies: a dynamic puzzle

We draw attention to the bright galaxies that do not show a bar in their structure but have a flocculent spiral structure. Using the THINGS and HERACLES kinematic data for four barless galaxies (NGC 2841, NGC 3512, NGC 5055, NGC 7331), we built their mass models including dark haloes. We concluded that the fraction of the dark matter does not exceed 50 per cent within the optical radii of the galaxies. This is too little to explain the lack of a bar in these galaxies. In an attempt to understand the featureless structure of these galaxies, we constructed several N-body models with an initially reduced content of dark matter. We concluded that, in addition to the low mass of the dark halo, the decisive factor that leads to a barless disc is the start from an initially unstable state. An isolated dynamically cold disc (with the Toomre parameter Q < 0.5) settled into rotational equilibrium passes through the short stage of violent instability with fragmentation and formation of stellar clumps. After that, it evolves passively and ends up with a featureless structure. We assume that the barless flocculent galaxies studied in this work may be descendants of galaxies at high redshifts with rotation curves that are consistent with the high mass fraction of baryons relative to the total dark matter halo.

79 ASTRONOMY AND ASTROPHYSICS↗

DOE OSTI2023

Molecular Rotations, Multiscale Order, Hyperuniformity, and Signatures of Metastability during the Compression/Decompression Cycles of Amorphous Ices

We model, via large-scale molecular dynamics simulations, the isothermal compression of low-density amorphous ice (LDA) to generate high-density amorphous ice (HDA) and the corresponding decompression extending to negative pressures to recover the low-density amorphous phase (LDA HDA ). Both LDA and HDA are nearly hyperuniform and are characterized by a dynamical HBN, showing that amorphous ices are nonstatic materials and implying that nearly hyperuniformity can be accommodated in dynamical networks. In correspondence with both the LDA-to-HDA and the HDA-to-LDA HDA phase transitions, the (partial) activation of rotational degrees of freedom activates a cascade effect that induces a drastic change in the connectivity and a pervasive reorganization of the HBN topology which, ultimately, break the samples’ hyperuniform character. Key to this effect is the rapid rate at which changes occur, and not their magnitude. The inspection of structural properties from the short- to the long-range shows that signatures of metastability are present at all length-scales, hence providing further solid evidence in support of the liquid–liquid critical point scenario. LDA and LDA HDA differ in terms of HBN and structural properties, implying that they are distinct low-density glasses. Our work unveils the role of molecular rotations in the phase transitions between amorphous ices and shows how the unfreezing of rotational degrees of freedom generates a cascade effect that propagates over multiple length-scales. Our findings greatly improve our basic understanding of water and amorphous ices and can potentially impact the field of molecular network-forming materials at large.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

NASA NTRS2015

Modeling and Simulation of Vehicle Dynamics on the Surface of Phobos

In this paper we analyze the dynamics of a spacecraft in proximity of Phobos by developing the equations of motion of a test mass in the Phobos rotating frame using a model based on circularly-restricted three body problem, and by analyzing the dynamics of a ATHLETE hopper vehicle interacting with the soil under different soil-interaction conditions. The main conclusion of the numerical studies is that the system response is dominated by the stiffness and damping parameters of the leg springs, with the soil characteristics having a much smaller effect. The system simulations identify ranges of parameters for which the vehicle emerges stably (relying only on the passive viscoelastic damper at each leg) or unstably (needing active attitude control) from the hop. The implication is that further experimental and possibly computational modeling work, as well as site characterization (from precursor missions) will be necessary to obtain validated performance models.

soil-structure interaction↗

DOE OSTI2023

Disruption event characterization and forecasting in tokamaks

Disruption prediction and avoidance is a critical need for next-step tokamaks, such as ITER. Disruption Event Characterization and Forecasting (DECAF) research fully automates analysis of tokamak data to determine chains of events that lead to disruptions and to forecast their evolution allowing sufficient time for mitigation or complete avoidance of the disruption. Disruption event chains related to local rotating or global magnetohydrodynamic (MHD) modes and vertical instability are examined with warnings issued for many off-normal physics events, including density limits, plasma dynamics, confinement transitions, and profile variations. Along with Greenwald density limit evaluation, a local radiative island power balance theory is evaluated and compared to the observation of island growth. Automated decomposition and analysis of rotating tearing modes produce physical event chains leading to disruptions. A total MHD state warning model comprised of 15 separate criteria produces a disruption forecast about 180 ms before a standard locked mode detector warning. Single DECAF event analyses have begun on KSTAR, MAST, and NSTX/-U databases with thousands of shot seconds of device operation using from 0.5 to 1 × 10 6 tested sample times per device. An initial multi-device database comparison illustrates a highly important result that plasma disruptivity does not need to increase as βN increases. Global MHD instabilities, such as resistive wall modes (RWMs), can give the briefest time period of warning before disruption compared to other physics events. In an NSTX database with unstable RWMs, the mode onset, loss of boundary and current control, and disruption event warnings are found in all cases and vertical displacement events are found in 91% of cases. An initial time-dependent reduced physics model of kinetic RWM stabilization created to forecast the disruption chain predicts instability 84% of the time for experimentally unstable cases with a relatively low false positive rate. Instances of the disruption event chain analysis illustrate dynamics including H–L back transitions for rotating MHD and global RWM triggering events. Furthermore, disruption warnings are issued with sufficient time before the disruption (on transport timescales) to potentially allow active profile control for disruption avoidance, active mode control, or mitigation.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

NASA NTRS1985

Viking Radio Science Data Analysis and Synthesis

The objectives of the analysis of the Viking radio tracking data are: (1) the study of Mars, its rotation, topography, and internal structure; (2) the development of a general dynamical model of the solar system; and (3) tests of the fundamental laws of gravitation. The central element in the data analysis is the Planetary Ephemeris Program (PEP) which embodies the mathematical models of the solar system. The asteroid model in PEP is changed to better estimate the mass of a fictitious uniform ring and the masses of eight separate asteroids. A model of the rotation of Mars include a secular rate of change of the period and both annual and semiannual variations in the phase of rotation. Other modifications to this model are discussed.

Shapiro, I. I.↗

NASA NTRS1990

Dynamics of surface tension in microgravity environment

Time-dependent evolutions of the profile of free surface (bubble shapes) for a cylindrical container partially filled with a Newtonian fluid of constant density, rotating about its axis of symmetry, in low and microgravity environments, have been studied. Numerical computations of the dynamics of bubble shapes have been carried out (1) linear time-dependent functions of spin-up and spin-down in low and microgravity environments, (2) linear time-dependent functions of increasing and decreasing gravity environment at high and low rotating cylinder speeds, (3) time-dependent step functions of spin-up and spin-down in a low-gravity environment, and (4) sinusoidal function oscillation of the gravity environment at high and low rotating cylinder speeds.

Hung, R. J.↗

NASA NTRS1989

Concurrent processing simulation of the space station

The development of a new capability for the time-domain simulation of multibody dynamic systems and its application to the study of a large angle rotational maneuvers of the Space Station is described. The effort was divided into three sequential tasks, which required significant advancements of the state-of-the art to accomplish. These were: (1) the development of an explicit mathematical model via symbol manipulation of a flexible, multibody dynamic system; (2) the development of a methodology for balancing the computational load of an explicit mathematical model for concurrent processing; and (3) the implementation and successful simulation of the above on a prototype Custom Architectured Parallel Processing System (CAPPS) containing eight processors. The throughput rate achieved by the CAPPS operating at only 70 percent efficiency, was 3.9 times greater than that obtained sequentially by the IBM 3090 supercomputer simulating the same problem. More significantly, analysis of the results leads to the conclusion that the relative cost effectiveness of concurrent vs. sequential digital computation will grow substantially as the computational load is increased. This is a welcomed development in an era when very complex and cumbersome mathematical models of large space vehicles must be used as substitutes for full scale testing which has become impractical.

Gluck, R.↗

NASA NTRS1978

A three-dimensional model of corotating streams in the solar wind. I - Theoretical foundations

The paper is concerned with the development of the theoretical and mathematical background pertinent to the study of steady, corotating solar wind structure in all three spatial dimensions. The dynamical evolution of the plasma in interplanetary space (defined as the region beyond roughly 35 Rs where the flow is supersonic) is approximately described by the nonlinear, single-fluid, polytropic magnetohydrodynamic or hydrodynamic equations. Efficient numerical techniques are outlined for solving this complex system of coupled, hyperbolic partial differential equations. The present formulation is inviscid and nonmagnetic, but the methods used allow for the potential inclusion of both features with only modest modifications. A simple, highly idealized hydrodynamic model stream is examined to illustrate the fundamental processes involved in the three-dimensional dynamics of stream evolution. It is found that spatial variations in the rotational stream interaction mechanism produce small nonradial flows on a global scale that lead to the transport of mass, energy, and momentum away from regions of relative compression and into regions of relative rarefaction. Comparison with simpler models demonstrates the essential nonlinear, multidimensional nature of the interplanetary dynamics.

Pizzo, V.↗

NASA NTRS1991

Simulation of cooperating robot manipulators on a mobile platform

The dynamic equations of motion are presented for two or more cooperating manipulators on a freely moving mobile platform. The system of cooperating robot manipulators forms a closed kinematic chain where the force of interaction must be included in the formulation of robot and platform dynamics. The formulation includes the full dynamic interactions from arms to platform and arm tip to arm tip, and the possible translation and rotation of the platform. The equations of motion are shown to be identical in structure to the fixed-platform cooperative manipulator dynamics. The number of DOFs of the system is sufficiently large to make recursive dynamic calculation methods potentially more efficient than closed-form solutions. A complete simulation with two 6-DOF manipulators of a free-floating platform is presented along a with a multiple-arm controller to position the common load.

Murphy, Stephen H.↗

NASA NTRS1985

Investigation of dynamic noise affecting geodynamics information in a tethered subsatellite

Work performed as part of an investigation of noise affecting instrumentation in a tethered subsatellite, was studied. The following specific topics were addressed during the reporting period: a method for stabilizing the subsatellite against the rotational effects of atmospheric perturbation was developed; a variety of analytic studies of tether dynamics aimed at elucidating dynamic noise processes were performed; a novel mechanism for coupling longitudinal and latitudinal oscillations of the tether was discovered, and random vibration analysis for modeling the tethered subsatellite under atmospheric perturbation were studied.

Gullahorn, G. E.↗

NASA NTRS1992

Gallery of fluid motion

Winning photographs from the ninth Annual Fluid Mechanics Photo Contest held by the Division of Fluid Dynamics of the American Physical Society in November 1991 are displayed. Pictures are presented of vortex flows, a periodic axisymmetric vortex breakdown in a cylinder with a rotating end wall, impacting water drops, a vortex structure behind a disk started from rest, dynamic stall, blue waves, isotherms in turbulent Rayleigh-Benard convection, a square jet, 'vapor lines' emanating from water droplets, viscosity effects on the directional solidification of NH4Cl solution in a Hele-Shaw cell, and stationary cross-flow vortices.

Reed, Helen L.↗

NASA NTRS1981

Geophysical fluid dynamics

Systematic scaling or dimensional analysis reveals that certain scales of geophysical fluid flows (such as stellar, ocean, and planetary atmosphere circulations) can be accurately modeled in the laboratory using a procedure which differs from conventional engineering modeling. Rather than building a model to obtain numbers for a specific design problem, the relative effects of the significant forces are systematically varied in an attempt to deepen understanding of the effects of these forces. Topics covered include: (1) modeling a large-scale planetary atmospheric flow in a rotating cylindrical annulus; (2) achieving a radial dielectric body force; (3) spherical geophysical fluid dynamics experiments for Spacelab flights; (4) measuring flow and temperature; and (5) the possible effect of rotational or precessional disturbances on the flow in the rotating spherical containers.

Fowlis, W. W.↗

DOE OSTI2026

Dataset_for_Molecular_Motion_Below_the_Glass_Transition_A_Solid-State_NMR_Study_of_Siloxane_Polymer_Dynamics Study

This dataset contains solid-state 1H and 13C NMR relaxometry data, differential scanning calorimetry (DSC) data, and size exclusion chromatography (SEC/GPC) data supporting the study of sub-glass-transition (sub-Tg) molecular dynamics in a composition- and sequence-controlled series of diphenyl-substituted polysiloxanes (PDMS, 14Ph, 33Ph, 50Ph, 67Ph, and 100Ph; 0–100% diphenylsiloxane content by mole).All solid-state NMR data were acquired on a 200 MHz Bruker Avance III HD spectrometer using a static 7 mm HX probe or a 4 mm HX probe under 4 kHz magic-angle spinning. Raw Bruker TopSpin experiment folders are included for: (1) variable-temperature 1H lineshape measurements used to determine linewidth (FWHM) as a function of temperature across the glass transition; (2) 1H T1 (saturation recovery with solid-echo detection), probing nanosecond-scale dynamics near the 1H Larmor frequency; (3) 1H T1rho (direct spin-lock, 62.5 kHz), probing microsecond-scale segmental dynamics; (4) 13C-detected Lee–Goldburg cross-polarization 1H T1rho (LGCPH T1rho) for 33Ph and 50Ph, resolving aromatic and aliphatic proton environments; and (5) 13C T1 relaxation for 33Ph and 50Ph. Differential scanning calorimetry data (TA Instruments DSC 25, −150 to +120 °C, up to +300 °C for 100Ph, 10 °C/min) are included for all six compositions and support the glass-transition temperatures in Table 1 and Figure 1. Size exclusion chromatography data (Agilent 1200 Series, PL-Gel 300 mixed-C column, THF mobile phase, polystyrene calibration standards) are included for the three synthesized copolymers (33Ph, 50Ph, 67Ph) and support the number-average molecular weights in Table 1. Processed data include per-composition relaxation-time summaries (Excel), curve-fitting and Bloembergen-Purcell-Pound (BPP) model analysis notebooks (Jupyter/Python), and Igor Pro (.pxp) master files used to generate the manuscript's figures.

Bloembergen-Purcell-Pound theory↗

DOE OSTI2024

Matrix-formation dynamics dictate methyl nitrite conformer abundance

Methyl nitrite has two stable conformational isomers resulting from rotation about the primary C–O–N–O dihedral angle: cis-CH 3 ONO and trans-CH 3 ONO, with cis being more stable by ∼5 kJ/mol. Here, the barrier to rotational interconversion (∼45 kJ/mol) is too large for isomerization to occur under ambient conditions. This paper presents evidence of a change in conformer abundance when dilute CH 3 ONO is deposited onto a cold substrate; the relative population of the freshly deposited cis conformer is seen to increase compared to its gas-phase abundance, measured by in situ infrared spectroscopy. We observe abundance changes depending on the identity of the bath gas (N 2 , Ar, and Xe) and deposition angle. The observations indicate that the surface properties of the growing matrix influence conformer abundance—contrary to the widely held assumption that conformer abundance in matrices reflects gas-phase abundance. We posit that differences in the angle-dependent host-gas deposition dynamics affect the growing surfaces, causing changes in conformer abundances. Quantum chemistry calculations of the binding energies between CH 3 ONO and a single bath-gas component reveal that significant energetic stabilization is not observed in 1:1 complexes of N 2 :CH 3 ONO, Ar:CH 3 ONO, or Xe:CH 3 ONO. From our results, we conclude that the growing surface plays a significant role in trapping cis-CH 3 ONO more effectively than trans-CH 3 ONO, likely because cis-CH 3 ONO is more compact. Taken together, the observations highlight the necessity for careful characterization of conformers in matrix-isolated systems, emphasizing a need for further study into the deposition dynamics and surface structure of chemically inert matrices.

Hockey, Emily K.↗

NASA NTRS1992

Assigning Damping Parameters To Component Dynamical Modes

Damping parameters found by solving nonlinear optimization problem. Paper discusses assignment of matrices of damping parameters to mathematical models of vibrations and rotations of interconnected flexible components of large, flexible structure. Such models truncated at component level to reduce amount of computation necessary to simulate dynamics of structure numerically at both component and system levels.

Lee, Allan Y.↗