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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 289 records · Page 16

The Baryonic Collapse Efficiency of Galaxy Groups in the RESOLVE and ECO Surveys

We examine the z = 0 group-integrated stellar and cold baryonic (stars + cold atomic gas) mass functions (group SMF and CBMF) and the baryonic collapse efficiency (group cold baryonic to dark matter halo mass ratio) using the RESOLVE and ECO survey galaxy group catalogs and a galform semi-analytic model (SAM) mock catalog. The group SMF and CBMF fall off more steeply at high masses and rise with a shallower low-mass slope than the theoretical halo mass function (HMF). The transition occurs at the group-integrated cold baryonic mass M{sub bary}{sup cold} ∼ 10{sup 11} M{sub ⊙}. The SAM, however, has significantly fewer groups at the transition mass ∼10{sup 11} M{sub ⊙} and a steeper low-mass slope than the data, suggesting that feedback is too weak in low-mass halos and conversely too strong near the transition mass. Using literature prescriptions to include hot halo gas and potential unobservable galaxy gas produces a group BMF with a slope similar to the HMF even below the transition mass. Its normalization is lower by a factor of ∼2, in agreement with estimates of warm-hot gas making up the remaining difference. We compute baryonic collapse efficiency with the halo mass calculated two ways, via halo abundance matching (HAM) and via dynamics (extended all the way to three-galaxy groups using stacking). Using HAM, we find that baryonic collapse efficiencies reach a flat maximum for groups across the halo mass range of M{sub halo}∼10{sup 11.4−12} M{sub ⊙}, which we label “nascent groups.” Using dynamics, however, we find greater scatter in baryonic collapse efficiencies, likely indicating variation in group hot-to-cold baryon ratios. Similarly, we see higher scatter in baryonic collapse efficiencies in the SAM when using its true groups and their group halo masses as opposed to friends-of-friends groups and HAM masses.

79 ASTRONOMY AND ASTROPHYSICS↗

The Role of Chain-End Association Lifetime in Segmental and Chain Dynamics of Telechelic Polymers

Broadband dielectric spectroscopy, differential scanning calorimetry, and rheology were employed to study the impact of hydrogen (H)-bonding end-groups on segmental and chain dynamics of telechelic polypropylene glycol (PPG) and poly(dimethylsiloxane) (PDMS). Polymer chains with three types of H-bonding end-groups possessing different interaction strengths and a non-H-bonding end-group as reference were compared. The glass transition temperature (Tg) of H-bonding PPG systems with low molecular weight increases compared to the reference, and the Tg difference varies with chain-end interaction strength. In contrast, their shear viscosities (for Tg-scaled temperature, i.e., when the shift in Tg is accounted for) are similar to that one of the reference. This is in strong contrast to the behavior of telechelic PDMS with the same set of end-groups, where the Tg increase of all H-bonding systems is independent of H-bond strengths, while shear viscosity increases significantly only for the strongest H-bonding end-groups. These observations are explained by the difference in lifetime of the end-group associations relative to segmental and chain relaxation times.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Enhanced charge transfer by phenyl groups at a rubrene/C{sub 60} interface

Exciton dynamics at an interface between an electron donor, rubrene, and a C{sub 60} acceptor is studied by nonadiabatic quantum molecular dynamics simulation. Simulation results reveal an essential role of the phenyl groups in rubrene in increasing the charge-transfer rate by an order-of-magnitude. The atomistic mechanism of the enhanced charge transfer is found to be the amplification of aromatic breathing modes by the phenyl groups, which causes large fluctuations of electronic excitation energies. These findings provide insight into molecular structure design for efficient solar cells, while explaining recent experimental observations.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

NASA Pathways Co-op Tour Johnson Space Center Fall 2013

This report outlines the tasks and objectives completed during a co‐operative education tour with National Aeronautics and Space Association (NASA) at the Johnson Space Center in Houston, Texas. I worked for the Attitude & Pointing group of the Flight Dynamics Division within the Mission Operations Directorate at Johnson Space Center. NASA's primary mission is to support and expand the various ongoing space exploration programs and any research and development activities associated with it. My primary project required me to develop and a SharePoint web application for my group. My secondary objective was to become familiar with the role of my group which was primarily to provide spacecraft attitude and line of sight determination, including Tracking and Data Relay Satellite (TDRS) communications coverage for various NASA, International, and commercial partner spacecraft. My projects required me to become acquainted with different software systems, fundamentals of aerospace engineering, project management, and develop essential interpersonal communication skills. Overall, I accomplished multiple goals which included laying the foundations for an updated SharePoint which will allow for an organized platform to communicate and share data for group members and external partners. I also successfully learned about the operations of the Attitude & Pointing Group and how it contributes to the Missions Operations Directorate and NASA's Space Program as a whole

Masood, Amir↗

Supramolecular meso -Trick: Ambidextrous Mirror Symmetry Breaking in a Liquid Crystalline Network with Tetragonal Symmetry

Bicontinuous and multicontinuous network phases are among nature's most complex structures in soft matter systems. Here, a chiral bicontinuous tetragonal phase is reported as a new stable liquid crystalline intermediate phase at the transition between two cubic phases, the achiral double gyroid and the chiral triple network cubic phase with an I 23 space group, both formed by dynamic networks of helices. The mirror symmetry of the double gyroid, representing a meso -structure of two enantiomorphic networks, is broken at the transition to this tetragonal phase by retaining uniform helicity only along one network while losing it along the other one. This leads to a conglomerate of enantiomorphic tetragonal space groups, P 4 1 2 1 2 and P 4 3 2 1 2. Phase structures and chirality were analyzed by small-angle X-ray scattering (SAXS), grazing-incidence small-angle X-ray scattering (GISAXS), resonant soft X-ray scattering (RSoXS) at the carbon K-edge, and model-dependent SAXS/RSoXS simulation. In conclusion, our findings not only lead to a new bicontinuous network-type three-dimensional mesophase but also reveal a mechanism of mirror symmetry breaking in soft matter by partial meso -structure racemization at the transition from enantiophilic to enantiophobic interhelical self-assembly.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Spatiotemporal processing of linear acceleration: primary afferent and central vestibular neuron responses

Spatiotemporal convergence and two-dimensional (2-D) neural tuning have been proposed as a major neural mechanism in the signal processing of linear acceleration. To examine this hypothesis, we studied the firing properties of primary otolith afferents and central otolith neurons that respond exclusively to horizontal linear accelerations of the head (0.16-10 Hz) in alert rhesus monkeys. Unlike primary afferents, the majority of central otolith neurons exhibited 2-D spatial tuning to linear acceleration. As a result, central otolith dynamics vary as a function of movement direction. During movement along the maximum sensitivity direction, the dynamics of all central otolith neurons differed significantly from those observed for the primary afferent population. Specifically at low frequencies (</=0.5 Hz), the firing rate of the majority of central otolith neurons peaked in phase with linear velocity, in contrast to primary afferents that peaked in phase with linear acceleration. At least three different groups of central response dynamics were described according to the properties observed for motion along the maximum sensitivity direction. "High-pass" neurons exhibited increasing gains and phase values as a function of frequency. "Flat" neurons were characterized by relatively flat gains and constant phase lags (approximately 20-55 degrees ). A few neurons ("low-pass") were characterized by decreasing gain and phase as a function of frequency. The response dynamics of central otolith neurons suggest that the approximately 90 degrees phase lags observed at low frequencies are not the result of a neural integration but rather the effect of nonminimum phase behavior, which could arise at least partly through spatiotemporal convergence. Neither afferent nor central otolith neurons discriminated between gravitational and inertial components of linear acceleration. Thus response sensitivity was indistinguishable during 0.5-Hz pitch oscillations and fore-aft movements. The fact that otolith-only central neurons with "high-pass" filter properties exhibit semicircular canal-like dynamics during head tilts might have important consequences for the conclusions of previous studies of sensory convergence and sensorimotor transformations in central vestibular neurons.

NASA Discipline Neuroscience↗

A Step Towards Machine Learning-based Coherent Generator Grouping for Emergency Control Applications in Modern Power Grid

A dynamic neural network (NN) based multi-class classifier is proposed for improving online prediction of coherent generator groups (CGGs), following the occurrences of various contingencies in the power grid. This is motivated by the increasing availability of the measurements from phasor measurement units (PMUs) and the number of grouping schemes is limited. The proposed method consists of three steps. First, by performing offline simulations, a library of system dynamic responses characterized by post-contingency rotor angles and speeds of individual generators is obtained. To generate sufficient data, up to N-2 contingencies and the uncertain parameters associated with the power grid including type and location of disturbance and fault clearing times are modeled. Secondly, the training data-set is produced by generating labels for individual contingencies using a hierarchical clustering method based on rotor angle and speed data. Lastly, the dynamic NN models are trained for online applications such as emergency controls and controlled islanding. The proposed method is tested on the standard 16-generator 68-bus system to demonstrate its performance. Furthermore, the impact of the sample data lengths on the CGG numbers is evaluated. It is interesting to observe that the time domain stability behaviors can be determined by examining the changes in the CGG numbers.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗

Hidden pion varieties in composite models for diphoton resonances

The diphoton excesses at 750 GeV seen in the LHC data may be the first hint of new physics at the TeV scale. We discuss variations of the model considered earlier, in which one or more diphoton excesses arise from composite pseudo-Nambu-Goldstone bosons (hidden pions) associated with new strong dynamics at the TeV scale. We study the case in which the 750 GeV excess arises from a unique hidden pion leading to a diphoton final state as well as the case in which it arises from one of the hidden pions decaying into diphotons. We consider SU(N), SO(N), and Sp(N) gauge groups for the strong dynamics and find that SO(N) and Sp(N) models give extra hidden pions beyond those in the SU(N) models, which can be used to discriminate among models.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Contribution of the Hydroxyl Group on Interfacial Heat Conduction of Monohydric Alcohols: A Molecular Dynamics Study

Monohydric alcohols have been used as promising phase change materials (PCMs) for low-temperature latent heat storage. However, the heat storage/retrieval rates are limited due to the low thermal conductivity of such alcohols. In this work, nonequilibrium molecular dynamics (NEMD) simulations were performed to study the microscopic heat conduction in example monohydric alcohols, i.e., 1-dodecanol (C12H26O), 1-tetradecanol (C14H30O), and 1-hexadecanol (C16H34O). A simplified ideal crystal model was proposed to exploit the potential for improving the thermal conductivity of monohydric alcohols. The effect of ideal crystalline structures, especially the contribution of the hydroxyl group, on the microscopic heat conduction process was analyzed. The thermal conductivity of the ideal crystals of the various monohydric alcohols was predicted to be more than twice as compared to that of their respective solids. The major thermal resistance in the ideal crystals was found around the molecular interfaces, as a result of the excellent heat conduction performance along the linear molecular chains. The calculated vibrational density of states (VDOS) and interfacial heat transfer were then investigated. When the interfaces are surrounded by hydroxyl groups as walls, strong hydrogen bond (HB) interactions were observed. The interfacial heat transfer coefficient of the ideal crystalline structures of 1-tetradecanol was found to reach up to ~735.6 MW/m2 W. It was elucidated that the high interfacial heat transfer rate is clearly related to the stronger intermolecular interactions.

Engineering↗

Shock waves simulated using the dual domain material point method combined with molecular dynamics

Here in this work we combine the dual domain material point method with molecular dynamics in an attempt to create a multiscale numerical method to simulate materials undergoing large deformations with high strain rates. In these types of problems, the material is often in a thermodynamically nonequilibrium state, and conventional constitutive relations or equations of state are often not available. In this method, the closure quantities, such as stress, at each material point are calculated from a molecular dynamics simulation of a group of atoms surrounding the material point. Rather than restricting the multiscale simulation in a small spatial region, such as phase interfaces, or crack tips, this multiscale method can be used to consider nonequilibrium thermodynamic effects in a macroscopic domain. This method takes the advantage that the material points only communicate with mesh nodes, not among themselves; therefore molecular dynamics simulations for material points can be performed independently in parallel. The dual domain material point method is chosen for this multiscale method because it can be used in history dependent problems with large deformation without generating numerical noise as material points move across cells, and also because of its convergence and conservation properties. In conclusion, to demonstrate the feasibility and accuracy of this method, we compare the results of a shock wave propagation in a cerium crystal calculated using the direct molecular dynamics simulation with the results from this combined multiscale calculation.

36 MATERIALS SCIENCE↗

Modifications in Dynamic Contrast-Enhanced Magnetic Resonance Imaging Parameters After α-Particle-Emitting {sup 227}Th-trastuzumab Therapy of HER2-Expressing Ovarian Cancer Xenografts

Purpose: The purpose of this study was to investigate the effect of α-particle-emitting {sup 227}Th-trastuzumab radioimmunotherapy on tumor vasculature to increase the knowledge about the mechanisms of action of {sup 227}Th-trastuzumab. Methods and Materials: Human HER2-expressing SKOV-3 ovarian cancer xenografts were grown bilaterally in athymic nude mice. Mice with tumor volumes 253 ± 36 mm{sup 3} (mean ± SEM) were treated with a single injection of either {sup 227}Th-trastuzumab at a dose of 1000 kBq/kg body weight (treated group, n=14 tumors) or 0.9% NaCl (control group, n=10 tumors). Dynamic T1-weighted contrast-enhanced magnetic resonance imaging (DCEMRI) was used to study the effect of {sup 227}Th-trastuzumab on tumor vasculature. DCEMRI was performed before treatment and 1, 2, and 3 weeks after therapy. Tumor contrast-enhancement curves were extracted voxel by voxel and fitted to the Brix pharmacokinetic model. Pharmacokinetic parameters for the tumors that underwent radioimmunotherapy were compared with the corresponding parameters of control tumors. Results: Significant increases of k{sub ep}, the rate constant of diffusion from the extravascular extracellular space to the plasma (P<.05), and k{sub el,} the rate of clearance of contrast agent from the plasma (P<.01), were seen in the radioimmunotherapy group 2 and 3 weeks after injection, compared with the control group. The product of k{sub ep} and the amplitude parameter A, associated with increased vessel permeability and perfusion, was also significantly increased in the radioimmunotherapy group 2 and 3 weeks after injection (P<.01). Conclusions: Pharmacokinetic modeling of MRI contrast-enhancement curves evidenced significant alterations in parameters associated with increased tumor vessel permeability and tumor perfusion after {sup 227}Th-trastuzumab treatment of HER2-expressing ovarian cancer xenografts.

62 RADIOLOGY AND NUCLEAR MEDICINE↗

Detection of significant antiviral drug effects on COVID-19 with reasonable sample sizes in randomized controlled trials: A modeling study

Development of an effective antiviral drug for Coronavirus Disease 2019 (COVID-19) is a global health priority. Although several candidate drugs have been identified through in vitro and in vivo models, consistent and compelling evidence from clinical studies is limited. The lack of evidence from clinical trials may stem in part from the imperfect design of the trials. We investigated how clinical trials for antivirals need to be designed, especially focusing on the sample size in randomized controlled trials. A modeling study was conducted to help understand the reasons behind inconsistent clinical trial findings and to design better clinical trials. We first analyzed longitudinal viral load data for Severe Acute Respiratory Syndrome Coronavirus 2 (SARS-CoV-2) without antiviral treatment by use of a within-host virus dynamics model. The fitted viral load was categorized into 3 different groups by a clustering approach. Comparison of the estimated parameters showed that the 3 distinct groups were characterized by different virus decay rates (p-value < 0.001). The mean decay rates were 1.17 d -1 (95% CI: 1.06 to 1.27 d -1 ), 0.777 d -1 (0.716 to 0.838 d -1 ), and 0.450 d -1 (0.378 to 0.522 d -1 ) for the 3 groups, respectively. Such heterogeneity in virus dynamics could be a confounding variable if it is associated with treatment allocation in compassionate use programs (i.e., observational studies). Subsequently, we mimicked randomized controlled trials of antivirals by simulation. An antiviral effect causing a 95% to 99% reduction in viral replication was added to the model. To be realistic, we assumed that randomization and treatment are initiated with some time lag after symptom onset. Using the duration of virus shedding as an outcome, the sample size to detect a statistically significant mean difference between the treatment and placebo groups (1:1 allocation) was 13,603 and 11,670 (when the antiviral effect was 95% and 99%, respectively) per group if all patients are enrolled regardless of timing of randomization. The sample size was reduced to 584 and 458 (when the antiviral effect was 95% and 99%, respectively) if only patients who are treated within 1 day of symptom onset are enrolled. We confirmed the sample size was similarly reduced when using cumulative viral load in log scale as an outcome. We used a conventional virus dynamics model, which may not fully reflect the detailed mechanisms of viral dynamics of SARS-CoV-2. The model needs to be calibrated in terms of both parameter settings and model structure, which would yield more reliable sample size calculation. In this study, we found that estimated association in observational studies can be biased due to large heterogeneity in viral dynamics among infected individuals, and statistically significant effect in randomized controlled trials may be difficult to be detected due to small sample size. The sample size can be dramatically reduced by recruiting patients immediately after developing symptoms. We believe this is the first study investigated the study design of clinical trials for antiviral treatment using the viral dynamics model.

60 APPLIED LIFE SCIENCES↗

Molecular Order and Dynamics of Tris(2-ethylhexyl)phosphate Confined in Uni-Directional Nanopores

Infrared Transition Moment Orientational Analysis (IR-TMOA) and Broadband Dielectric Spectroscopy (BDS) are combined to study molecular order and dynamics of the glass-forming liquid Tris(2-ethylhexy)phosphate (TEHP) confined in uni-directional nanopores with diameters of 4, 8, and 10.4 nm. The former method enables one to determine the molecular order parameter of specific IR transition moments. It is observed that the central P=O moiety of TEHP has a weak orientational effect (molecular order parameter Sz = 0.1 0.04) due the nanoporous confinement, in contrast to the terminal C H groups. BDS traces the dynamic glass transition of the guest molecules in a broad spectral range and at widely varying temperature. An enhancement of the mobility takes place when approaching the glass transition temperature and becomes more pronounced with decreasing pore diameter. This is attributed to a slight reduction of the density of the confined liquid caused by the 2-dimensional geometrical constraint.

confinement↗

Evolution of surface morphology from Stranski–Krastanov growth mode to step-flow growth mode in InSbBi thin films

The incorporation of dilute concentrations of bismuth (Bi) into traditional III–V alloys leads to a significant reduction in bandgap energy, making InSbBi a promising candidate for long-wavelength (<0.17 eV) infrared photosensors. InSbBi offers potential as a platform for exploring spin dynamics and quantum phenomena due to its strong spin–orbit coupling. Despite this promise, the material quality of InSbBi alloys remains inferior to that of conventional III–V semiconductors, primarily due to the substantial challenges associated with incorporating Bi into InSb and producing high-quality InSbBi with varying Bi compositions. In this study, we address these issues by developing a molecular beam epitaxy approach to grow smooth InSbBi thin films with tunable Bi incorporation up to 1.8% of the group V sublattice, through dynamic adjustment of Sb flux and careful control of the interplay between growth temperature and the Bi flux. In conclusion, this work paves way for the development of high-quality InSbBi thin films for applications in photodetection, spintronics, and related quantum technologies.

Edirisinghe, Chandima Kasun [Univ. of Tennessee, K↗

National facilities study. Volume 5: Space research and development facilities task group

With the beginnings of the U.S. space program, there was a pressing need to develop facilities that could support the technology research and development, testing, and operations of evolving space systems. Redundancy in facilities that was once and advantage in providing flexibility and schedule accommodation is instead fast becoming a burden on scarce resources. As a result, there is a clear perception in many sectors that the U.S. has many space R&D facilities that are under-utilized and which are no longer cost-effective to maintain. At the same time, it is clear that the U.S. continues to possess many space R&D facilities which are the best -- or among the best -- in the world. In order to remain world class in key areas, careful assessment of current capabilities and planning for new facilities is needed. The National Facility Study (NFS) was initiated in 1992 to develop a comprehensive and integrated long-term plan for future aerospace facilities that meets current and projected government and commercial needs. In order to assess the nation's capability to support space research and development (R&D), a Space R&D Task Group was formed. The Task Group was co-chaired by NASA and DOD. The Task Group formed four major, technologically- and functionally- oriented working groups: Human and Machine Operations; Information and Communications; Propulsion and Power; and Materials, Structures, and Flight Dynamics. In addition to these groups, three supporting working groups were formed: Systems Engineering and Requirements; Strategy and Policy; and Costing Analysis. The Space R&D Task Group examined several hundred facilities against the template of a baseline mission and requirements model (developed in common with the Space Operations Task Group) and a set of excursions from the baseline. The model and excursions are described in Volume 3 of the NFS final report. In addition, as a part of the effort, the group examined key strategic issues associated with space R&D facilities planning for the U.S., and these are discussed in Section 4 of this volume.

Source record↗

Application of Dynamical System Scaling to Bubble Dynamics

Dynamical System Scaling (DSS) provides a useful method for analyzing, categorizing and scaling time-dependent processes. A key feature of DSS is the temporal displacement rate, D, which relates the natural process time to the reference clock time. Because of its property of being invariant under a two-parameter affine transformation, it provides an underlying basis for process scaling. Application of DSS to bubble dynamics serves to elucidate the physical significance of the temporal displacement rate and its role in scaling a variety of bubble dynamics processes. This paper shows that the temporal displacement rate consists of the sum of dimensionless groups that govern the bubble dynamics. Preserving the temporal displacement rate for a prototype and a scaled model results in similitude of the time-dependent normalized bubble size, growth rates and interfacial accelerations for different fluid conditions. For vapor bubble growth in a superheated liquid, it is shown that inertial controlled bubble growth occurs when D=0 and thermally controlled bubble growth occurs when D=1 .

dynamical system scaling, SMR, bubble dynamics, DS↗

The X-ray Zurich Environmental Study (X-ZENS). II. X-ray observations of the diffuse intragroup medium in galaxy groups

We present the results of a pilot XMM-Newton and Chandra program aimed at studying the diffuse intragroup medium (IGM) of optically selected nearby groups from the Zurich ENvironmental Study (ZENS) catalog. The groups are in a narrow mass range about 10{sup 13} M{sub ⊙}, a mass scale at which the interplay between the IGM and the group member galaxies is still largely unprobed. X-ray emission from the IGM is detected in the energy band 0.5–2 keV with flux ⩽10{sup −13} erg s{sup −1} cm{sup −2}, which is one order of magnitude fainter than for typical ROSAT groups (RASS). For many groups, we set upper limits on the X-ray luminosity, indicating that the detections are likely probing the upper envelope of the X-ray emitting groups. We find that weighting the group halo mass by the fraction of the total stellar mass locked in the bulge galaxy components might reduce the bias of mass estimates based on the total optical luminosity with respect to the X-ray mass estimates, (consistent with Andreon, at larger mass scales). We measure a stellar mass fraction with a median value of about 1%, with a contribution from the most massive galaxies between 30% and 50%. Optical and X-ray data often give complementary answers concerning the dynamical state of the groups, and are essential for a complete picture of the group system. Extending this pilot program to a larger sample of groups is necessary to unveil any imprint of interaction between member galaxies and IGM in halo potentials of key importance for environmentally driven galactic evolution.

79 ASTRONOMY AND ASTROPHYSICS↗