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DOE OSTI2021

SERENA: Particle Instrument Suite for Determining the Sun-Mercury Interaction from BepiColombo

The ESA-JAXA BepiColombo mission to Mercury will provide simultaneous measurements from two spacecraft, offering an unprecedented opportunity to investigate magnetospheric and exospheric particle dynamics at Mercury as well as their interactions with solar wind, solar radiation, and interplanetary dust. The particle instrument suite SERENA (Search for Exospheric Refilling and Emitted Natural Abundances) is flying in space on-board the BepiColombo Mercury Planetary Orbiter (MPO) and is the only instrument for ion and neutral particle detection aboard the MPO. It comprises four independent sensors: ELENA for neutral particle flow detection, Strofio for neutral gas detection, PICAM for planetary ions observations, and MIPA, mostly for solar wind ion measurements. SERENA is managed by a System Control Unit located inside the ELENA box. In the present paper the scientific goals of this suite are described, and then the four units are detailed, as well as their major features and calibration results. Finally, the SERENA operational activities are shown during the orbital path around Mercury, with also some reference to the activities planned during the long cruise phase.

79 ASTRONOMY AND ASTROPHYSICS↗

NASA NTRS2021

SERENA: Particle Instrument Suite for Determining the Sun-Mercury Interaction from BepiColombo

S. Orsini↗

DOE OSTI2024

Atomic-level mechanisms of short-circuit diffusion in materials

This paper reviews the recent progress in understanding the atomic mechanisms of short-circuit diffusion along materials interfaces, such as grain and interphase boundaries, as well as lattice and interfacial dislocations/disconnections. Recent atomistic computer simulations have shown that short-circuit diffusion is dominated by collective atomic rearrangements in the form of strings and rings of mobile atoms. The process is dynamically heterogeneous in space and time and has many features in common with atomic dynamics in supercooled glass-forming liquids. We discuss examples of grain boundary, interphase boundary, and dislocation diffusion in metals and alloys, including the solute effect on the diffusion rates and mechanisms. Interphase boundaries are exemplified by Al–Si interfaces with diverse orientation relationships and atomic structures. The hierarchy of short-circuit diffusion paths in materials is reviewed by comparing the rates of grain boundary, interphase boundary, and dislocation diffusion. Future directions in the field of short-circuit diffusion in defect core regions are discussed.

36 MATERIALS SCIENCE↗

DOE OSTI2024

Crescendo beyond the horizon: More gravitational waves from domain walls bounded by inflated cosmic strings

Gravitational-wave (GW) signals offer a unique window into the dynamics of the early universe. GWs may be generated by the topological defects produced in the early universe, which contain information on the symmetry of UV physics. We consider the case in which a two-step phase transition produces a network of domain walls bounded by cosmic strings. Specifically, we focus on the case in which there is a hierarchy in the symmetry-breaking scales, and a period of inflation pushes the cosmic string generated in the first phase transition outside the horizon before the second phase transition. We show that the GW signal from the evolution and collapse of this string-wall network has a unique spectrum, and the resulting signal strength can be sizeable. In particular, depending on the model parameters, the resulting signal can show up in a broad range of frequencies and can be discovered by a multitude of future probes, including the pulsar timing arrays and space- and ground-based GW observatories. As an example that naturally gives rise to this scenario, we present a model with the first phase transition followed by a brief period of thermal inflation driven by the field responsible for the second stage of symmetry breaking. Here, the model can be embedded into a supersymmetric setup, which provides a natural realization of this scenario. In this case, the successful detection of the peak of the GW spectrum probes the soft supersymmetry breaking scale and the wall tension.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

NASA NTRS2001

An Assessment of Helium Evolution from Helium-Saturated Propellant Depressurization in Space

Helium evolution from the transfer of helium-saturated propellant in space is quantified to assess its impacts from creating two-phase gas/liquid flow from the supply tank, gas injection into the receiving tank, and liquid discharge from the receiving tank. Propellant transfer takes place between two similar tanks whose maximum storage capacity is approximately 2.55 cubic meters each. The maximum on-orbit propellants transfer capability is 9000 lbm (fuel and oxidizer). The transfer line is approximately 1.27 cm in diameter and 6096 cm in length and comprised of the fluid interconnect system (FICS), the orbiter propellant transfer system (OPTS), and the International Space Station (ISS) propulsion module (ISSPM). The propellant transfer rate begins at approximately 11 liter per minute (lpm) and subsequently drops to approximately 0.5 lpm. The tank nominal operating pressure is approximately 1827 kPa (absolute). The line pressure drops for Monomethy1hydrazine (MMH) and Nitrogen tetroxide (NTO) at 11.3 lpm are approximately 202 kPa and 302 kPa, respectively. The pressure-drop results are based on a single-phase flow. The receiving tank is required to vent from approximately 1827 kPa to a lower pressure to affect propellant transfer. These pressure-drop scenarios cause the helium-saturated propellants to release excess helium. For tank ullage venting, the maximum volumes of helium evolved at tank pressure are approximately 0.5 ft3 for MMH and 2 ft3 for NTO. In microgravity environment, due to lack of body force, the helium evolution from a liquid body acts to propel it, which influences its fluid dynamics. For propellant transfer, the volume fractions of helium evolved at line pressure are 0.1% by volume for MMH and 0.6 % by volume for NTO at 11.3 lpm. The void fraction of helium evolved varies as an approximate second order power function of flow rate.

Nguyen, Bich N.↗

NASA NTRS2021

SERENA: Particle Instrument Suite for Determining the Sun-Mercury Interaction from BepiColombo

Mercury’s environment↗

DOE OSTI2024

Structural Properties of [N1888][TFSI] Ionic Liquid: A Small Angle Neutron Scattering and Polarizable Molecular Dynamics Study

In this study, we investigate the quaternary ammonium-based ionic liquid (QAIL), methyltrioctylammonium bis(trifluoromethylsulfonyl)imide, [N 1888 ][TFSI], utilizing small angle neutron scattering (SANS) measurements and polarizable molecular dynamics (MD) simulations to characterize the shortand long-range liquid structure. Scattering structure factors show signatures of three length scales in reciprocal space indicative of alternating polarity (k ~ 0.44 Å –1 ), charge (k ~ 0.75 Å –1 ), and neighboring or adjacent (k ~ 1.46 Å –1 ) domains. Excellent agreement between simulation and experimental scattering structure factors validates various simulation analyses that provide detailed atomistic characterization of the different length scale correlations. The first solvation shell structure is illustrated by obtaining radial, angular, dihedral, and combined distribution functions, where two dominant spatial motifs, N + ···N – and N + ···O – , compete for optimal packing around the polar head of the [N 1888 ] + cation. Intermediate and long-range structures are governed by the balance between local electroneutrality and octyl chain networking, respectively. By computing the charge-correlation structure factor, S ZZ , and the spatial extent of the octyl chain network using graph theory, the bulk-phase structure of [N 1888 ][TFSI] is characterized in terms of electrostatic screening and apolar domain formation length scales.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

NASA NTRS2014

Comparison Between THOR Anthropomorphic Test Device and THOR Finite Element Model

Extended time spent in reduced gravity can cause physiologic deconditioning of astronauts, reducing their ability to sustain excessive forces during dynamic phases of spaceflight such as landing. To make certain that the crew is safe during these phases, NASA must take caution when determining what types of landings are acceptable based on the accelerations applied to the astronaut. In order to test acceptable landings, various trials have been run accelerating humans, cadavers, and Anthropomorphic Test Devices (ATDs), or crash test dummies, at different acceleration and velocity rates on a sled testing platform. Using these tests, risks of injury will be created and metrics will be developed for the likelihood of injuries due to the acceleration. A finite element model (FEM) of the Test Device for Human Occupant Restraint (THOR) ATD has been developed that can simulate these test trials and others (Putnam, 2014), reducing the need for human and ATD testing. Additionally, this will give researchers a more effective way to test the accelerations and orientations encountered during spaceflight landings during design of new space vehicles for crewed missions. However, the FEM has not been proven and must be validated by comparing the forces, accelerations, and other measurements of all parts of the body between the physical tests already completed and computer simulated trials. The purpose of my research was to validate the FEM for the ATD using previously run trials with the physical THOR ATD.

Moore, Erik↗

DOE OSTI2025

SANE: strategic autonomous non-smooth exploration for multiple optima discovery in multi-modal and non-differentiable black-box functions

Both computational and experimental material discovery bring forth the challenge of exploring multidimensional and multimodal parameter spaces, such as phase diagrams of Hamiltonians with multiple interactions, composition spaces of combinatorial libraries, material structure image spaces, and molecular embedding spaces. Often these systems are black-boxes and time-consuming to evaluate, which resulted in strong interest towards active learning methods such as Bayesian optimization (BO). However, these systems are often noisy which make the black box function severely multi-modal and non-differentiable, where a vanilla BO can get overly focused near a single or faux optimum, deviating from the broader goal of scientific discovery. To address these limitations, here we developed Strategic Autonomous Non-Smooth Exploration (SANE) to facilitate an intelligent Bayesian optimized navigation with a proposed cost-driven probabilistic acquisition function to find multiple global and local optimal regions, avoiding the tendency to becoming trapped in a single optimum. To distinguish between a true and false optimal region due to noisy experimental measurements, a human (domain) knowledge driven dynamic surrogate gate is integrated with SANE. We implemented the gate-SANE into pre-acquired piezoresponse spectroscopy data of a ferroelectric combinatorial library with high noise levels in specific regions, and piezoresponse force microscopy (PFM) hyperspectral data. SANE demonstrated better performance than classical BO to facilitate the exploration of multiple optimal regions and thereby prioritized learning with higher coverage of scientific values in autonomous experiments. Our work showcases the potential application of this method to real-world experiments, where such combined strategic and human intervening approaches can be critical to unlocking new discoveries in autonomous research.

Biswas, Arpan [University of Tennessee, Knoxville,↗

NASA NTRS1998

A Geometry Based Infra-Structure for Computational Analysis and Design

The computational steps traditionally taken for most engineering analysis suites (computational fluid dynamics (CFD), structural analysis, heat transfer and etc.) are: (1) Surface Generation -- usually by employing a Computer Assisted Design (CAD) system; (2) Grid Generation -- preparing the volume for the simulation; (3) Flow Solver -- producing the results at the specified operational point; (4) Post-processing Visualization -- interactively attempting to understand the results. For structural analysis, integrated systems can be obtained from a number of commercial vendors. These vendors couple directly to a number of CAD systems and are executed from within the CAD Graphical User Interface (GUI). It should be noted that the structural analysis problem is more tractable than CFD; there are fewer mesh topologies used and the grids are not as fine (this problem space does not have the length scaling issues of fluids). For CFD, these steps have worked well in the past for simple steady-state simulations at the expense of much user interaction. The data was transmitted between phases via files. In most cases, the output from a CAD system could go to Initial Graphics Exchange Specification (IGES) or Standard Exchange Program (STEP) files. The output from Grid Generators and Solvers do not really have standards though there are a couple of file formats that can be used for a subset of the gridding (i.e. PLOT3D data formats). The user would have to patch up the data or translate from one format to another to move to the next step. Sometimes this could take days. Specifically the problems with this procedure are:(1) File based -- Information flows from one step to the next via data files with formats specified for that procedure. File standards, when they exist, are wholly inadequate. For example, geometry from CAD systems (transmitted via IGES files) is defined as disjoint surfaces and curves (as well as masses of other information of no interest for the Grid Generator). This is particularly onerous for modern CAD systems based on solid modeling. The part was a proper solid and in the translation to IGES has lost this important characteristic. STEP is another standard for CAD data that exists and supports the concept of a solid. The problem with STEP is that a solid modeling geometry kernel is required to query and manipulate the data within this type of file. (2) 'Good' Geometry. A bottleneck in getting results from a solver is the construction of proper geometry to be fed to the grid generator. With 'good' geometry a grid can be constructed in tens of minutes (even with a complex configuration) using unstructured techniques. Adroit multi-block methods are not far behind. This means that a million node steady-state solution can be computed on the order of hours (using current high performance computers) starting from this 'good' geometry. Unfortunately, the geometry usually transmitted from the CAD system is not 'good' in the grid generator sense. The grid generator needs smooth closed solid geometry. It can take a week (or more) of interaction with the CAD output (sometimes by hand) before the process can begin. One way Communication. (3) One-way Communication -- All information travels on from one phase to the next. This makes procedures like node adaptation difficult when attempting to add or move nodes that sit on bounding surfaces (when the actual surface data has been lost after the grid generation phase). Until this process can be automated, more complex problems such as multi-disciplinary analysis or using the above procedure for design becomes prohibitive. There is also no way to easily deal with this system in a modular manner. One can only replace the grid generator, for example, if the software reads and writes the same files. Instead of the serial approach to analysis as described above, CAPRI takes a geometry centric approach. This makes the actual geometry (not a discretized version) accessible to all phases of the analysis. The connection to the geometry is made through an Application Programming Interface (API) and NOT a file system. This API isolates the top-level applications (grid generators, solvers and visualization components) from the geometry engine. Also this allows the replacement of one geometry kernel with another, without effecting these top-level applications. For example, if UniGraphics is used as the CAD package then Parasolid (UG's own geometry engine) can be used for all geometric queries so that no solid geometry information is lost in a translation. This is much better than STEP because when the data is queried, the same software is executed as used in the CAD system. Therefore, one analyzes the exact part that is in the CAD system. CAPRI uses the same idea as the commercial structural analysis codes but does not specify control. Software components of the CAD system are used, but the analysis suite, not the CAD operator, specifies the control of the software session. This also means that the license issues (may be) minimized and individuals need not have to know how to operate a CAD system in order to run the suite.

Haimes, Robert↗

NASA NTRS2013

Stellar Populations in Compact Galaxy Groups: a Multi-wavelength Study of HCGs 16, 22, and 42, Their Star Clusters, and Dwarf Galaxies

We present a multi-wavelength analysis of three compact galaxy groups, Hickson compact groups (HCGs) 16, 22, and 42, which describe a sequence in terms of gas richness, from space- (Swift, Hubble Space Telescope (HST), and Spitzer) and ground-based (Las Campanas Observatory and Cerro Tololo Inter-American Observatory) imaging and spectroscopy.We study various signs of past interactions including a faint, dusty tidal feature about HCG 16A, which we tentatively age-date at <1 Gyr. This represents the possible detection of a tidal feature at the end of its phase of optical observability. Our HST images also resolve what were thought to be double nuclei in HCG 16C and D into multiple, distinct sources, likely to be star clusters. Beyond our phenomenological treatment, we focus primarily on contrasting the stellar populations across these three groups. The star clusters show a remarkable intermediate-age population in HCG 22, and identify the time at which star formation was quenched in HCG 42. We also search for dwarf galaxies at accordant redshifts. The inclusion of 33 members and 27 "associates" (possible members) radically changes group dynamical masses, which in turn may affect previous evolutionary classifications. The extended membership paints a picture of relative isolation in HCGs 16 and 22, but shows HCG 42 to be part of a larger structure, following a dichotomy expected from recent studies. We conclude that (1) star cluster populations provide an excellent metric of evolutionary state, as they can age-date the past epochs of star formation; and (2) the extended dwarf galaxy population must be considered in assessing the dynamical state of a compact group.

Compact Galaxy↗

NASA NTRS1976

Continuation of advanced crew procedures development techniques

An operational computer program, the Procedures and Performance Program (PPP) which operates in conjunction with the Phase I Shuttle Procedures Simulator to provide a procedures recording and crew/vehicle performance monitoring capability was developed. A technical synopsis of each task resulting in the development of the Procedures and Performance Program is provided. Conclusions and recommendations for action leading to the improvements in production of crew procedures development and crew training support are included. The PPP provides real-time CRT displays and post-run hardcopy output of procedures, difference procedures, performance data, parametric analysis data, and training script/training status data. During post-run, the program is designed to support evaluation through the reconstruction of displays to any point in time. A permanent record of the simulation exercise can be obtained via hardcopy output of the display data and via transfer to the Generalized Documentation Processor (GDP). Reference procedures data may be transferred from the GDP to the PPP. Interface is provided with the all digital trajectory program, the Space Vehicle Dynamics Simulator (SVDS) to support initial procedures timeline development.

Arbet, J. D.↗

NASA NTRS2015

TPSAS-NF1676L-21180-DND

Ablative materials are used as the Thermal Protection System (TPS) for space vehicles that enter a planetary atmosphere. During the entry phase, the vehicle experiences high rates of aerodynamic heating. These ablative materials, acting as a heat shield, protect the vehicle from the harsh environment and ensure a safe entry. Ablative materials reduce the incoming heat flux through various phenomena such as near-surface oxidation, pyrolysis chemical reaction, vaporization, and other erosive processes, collectively known as ablation. Spallation is one such ablative process, in which solid particles are ejected from the material into the flow field. The many conditions leading to spallation, however, are not well understood and cannot be described accurately by simple phenomenological models. However, the spallation phenomenon might impact the aerodynamic heating rates of re-entry vehicles using ablative heat shields. For example, the solid particles ejected from the surface can modify the near surface chemical processes and flow field. To investigate spallation effects, a code was developed to compute the dynamics of spalled particles. The code uses a finite-rate chemistry model to study the chemical interactions of the particles with the flow field. The spallation code is dynamically coupled to a CFD solver that models the time accurate hypersonic flow field around an ablative sample. An experimental investigation was also performed at the NASA Langley HYMETS facility. HYMETS is a 400 kW arcjet that can simulate hypersonic flight and Earth or Martian entry conditions. Using high speed cameras, an IR camera, NIR and UV-VIS spectrometers, and other diagnostic instruments, test data on various graphite, LI-900, FiberForm, and PICA test samples were obtained, using target heat flux conditions of 100, 200, and 400 W/cm 2 . From the test campaign, measurements of particle velocity, acceleration and trajectory are obtained.

A Martin↗

NASA NTRSDate not supplied

Numerical Predictions of the Flow and Heat Transfer Characteristics in the Film Boiling Regime During Tube Quenching

Cryogenic fluid management plays a major role in refueling of spacecrafts while in space for NASA’s future human space exploration missions. Due to the low boiling points of cryogens, storage, transport and handling of these fluids becomes difficult and may result in inefficient operation of the space propulsion systems. For refueling applications in space, the cryogenic fluids have to be transported across different locations and hence, the transfer of cryogenic fluids through pipes become critical. The cryogenic chill-down process is characterized by different regimes of flow boiling, viz., film boiling, transition boiling and nucleate boiling. The prediction of these regimes in a single CFD framework available in the literature is challenging and the present work attempts to address this challenge by initially modeling the film boiling regime accurately and to incorporate an user-defined function for transition and nucleate boiling at a later stage. Hence, the aim of the present work is to numerically model and validate the film boiling regime of the chilldown curve for liquid nitrogen experiments available in the literature. The validations are carried out at different inlet mass fluxes to have a robust simulation methodology. A dispersed mixture model is used to predict the vapor-liquid interface dynamics with the phase change phenomena modeled using the Lee model.

line chilldown↗

DOE OSTI2023

Influence of local symmetry on lattice dynamics coupled to topological surface states

Herein we investigate coupled electron-lattice dynamics in the topological insulator Bi 2 Te 3 with time-resolved photoemission and time-resolved x-ray diffraction. It is well established that coherent phonons can be launched by optical excitation, but selection rules generally restrict these modes to zone-center wave vectors and Raman-active branches. We find that the topological surface state couples to additional modes, including a continuum of surface-projected bulk modes from both Raman and infrared branches, with possible contributions from surface-localized modes when they exist. Our calculations show that this surface vibrational spectrum occurs naturally as a consequence of the translational and inversion symmetries broken at the surface, without requiring the splitting-off of surface-localized phonon modes. The generality of this result suggests that coherent phonon spectra are useful by providing unique fingerprints for identifying surface states in more controversial materials. These effects may also expand the phase space for tailoring surface state wave functions via ultrafast optical excitation.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

DOE OSTI2025

Moment method and continued fraction expansion in Floquet operator Krylov space

Recursion methods such as Krylov techniques map complex dynamics to an effective noninteracting problem in one dimension. For example, the operator Krylov space for Floquet dynamics can be mapped to the dynamics of an edge operator of the one-dimensional Floquet inhomogeneous transverse field Ising model (ITFIM), where the latter, after a Jordan-Wigner transformation, is a Floquet model of noninteracting Majorana fermions and the couplings correspond to Krylov angles. We present an application of this showing that a moment method exists where given an autocorrelation function, one can construct the corresponding Krylov angles and from that the corresponding Floquet ITFIM. Consequently, when no solutions for the Krylov angles are obtained, it indicates that the autocorrelation is not generated by unitary dynamics. We highlight this by studying certain special cases: stable m-period dynamics derived using the method of continued fractions, exponentially decaying, and power-law decaying stroboscopic dynamics. Remarkably, our examples of stable m-period dynamics correspond to m-period edge modes for the Floquet ITFIM where, deep in the chain, the couplings correspond to a critical phase. Furthermore our results pave the way to engineer Floquet systems with desired properties of edge modes and also provide examples of persistent edge modes in gapless Floquet systems.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

NASA NTRS2014

Implementation of Statistical Process Control: Evaluating the Mechanical Performance of a Candidate Silicone Elastomer Docking Seal

The National Aeronautics and Space Administration has been developing a novel docking system to meet the requirements of future exploration missions to low-Earth orbit and beyond. A dynamic gas pressure seal is located at the main interface between the active and passive mating components of the new docking system. This seal is designed to operate in the harsh space environment, but is also to perform within strict loading requirements while maintaining an acceptable level of leak rate. In this study, a candidate silicone elastomer seal was designed, and multiple subscale test articles were manufactured for evaluation purposes. The force required to fully compress each test article at room temperature was quantified and found to be below the maximum allowable load for the docking system. However, a significant amount of scatter was observed in the test results. Due to the stochastic nature of the mechanical performance of this candidate docking seal, a statistical process control technique was implemented to isolate unusual compression behavior from typical mechanical performance. The results of this statistical analysis indicated a lack of process control, suggesting a variation in the manufacturing phase of the process. Further investigation revealed that changes in the manufacturing molding process had occurred which may have influenced the mechanical performance of the seal. This knowledge improves the chance of this and future space seals to satisfy or exceed design specifications.

docking seal↗

DOE OSTI2020

Amphiphile Organization in Organic Solutions: An Alternative Explanation for Small-Angle X-ray Scattering Features in Malonamide/Alkane Mixtures

In this work, the role of different intermolecular interactions in the aggregation of amphiphiles in an organic solvent is studied for systems of relevance to liquid-liquid extraction (LLE), a chemical process used to selectively recover metals from complex mixtures. Of specific interest is the role, or lack thereof, of hydrogen bonding, which is often assumed to be a main driver of the organic phase structural organization that has been linked to separation efficacy. Toward that end, a series of malonamide extractants in n-dodecane have been studied in the absence of any extracted aqueous solutes, including water. The series of extractants includes N,N'-dimethyl-N,N'-dibutyltetradecylmalonamide (DMDBTDMA), two of its homologs, and N,N'-dimethyl-N,N'-dioctylhexylethoxymalonamide (DMDOHEMA). This simplified model LLE system enables systematic investigation of the role of dipole-dipole and alkyl tail steric interactions in amphiphile aggregation. Small-angle X-ray scattering (SAXS) profiles computed from molecular dynamics trajectories are in good agreement with experimental SAXS data. Molecular dynamics simulations show that malonamide aggregation results from dipole-driven self-association and lacks characteristic aggregate sizes. Mid-q correlation peaks in the SAXS profiles emerge at high concentration for each malonamide. In those densely packed solutions, the correlation peaks are observed to result from alkyl tail-induced spacing between electron-rich polar head groups, with peak positions determined by the different alkyl tail lengths present in the malonamide molecule. This explanation of the SAXS correlation peaks contrasts with the prevailing literature, which attributes mesoscale features observed in small-angle scattering to the formation of microemulsions. Instead, this work finds that these features are present in the absence of water or any reverse micellar organization of the malonamides. As such, molecular-scale malonamide self-association and packing, rather than microemulsion-based colloidal-scale descriptions, is a more appropriate framework for these LLE systems.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗