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Results for “dynamical correlation”

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 793 records · Page 44

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NASA NTRS2018

Integrated Oxygen Flow Meter/Heat Exchanger for Portable Life Support Systems

Space suits for future exploration missions will have multi-mission goals with new and challenging requirements for the portable life support system (PLSS). In particular, the space suit ventilation loop requires cooling and flow measurement components that must meet specifications that go well beyond the capabilities of the components used for the existing Extravehicular Mobility Unit. The flow meter must have high measurement accuracy over a wide flow range, compatibility with pure oxygen, low pressure losses, and very compact size. The heat exchanger that cools the ventilation loop must be built from materials that are compatible with the liquid cooling loop, and it must provide efficient gas cooling in a small package across conditions ranging from normal suit pressure to elevated pressure. This paper describes the development of a novel device that combines the flow measurement and cooling functions in a single, compact flow meter/heat exchanger (FMHX). We have developed design methods that enable us to assess trade-offs, optimize performance, and specify the design of an FMHX that meets the requirements and constraints for operation in future PLSSs. We used empirical design correlations combined with computational fluid dynamics analysis to design the FMHX design. Data from tests of a proof-of-concept FMHX validate the design methods and show that the device meets all design requirements. We used the results from these tests to refine the design parameters and predict performance of an optimized, prototype FMHX.

Izenson, Michael G.↗

NASA NTRSDate not supplied

In-flight System Identification of the Ingenuity Mars Helicopter

The 68th and 69th flights of NASA’s Ingenuity Mars Helicopter marked the first dedicated system identification flights of an aerial vehicle on another planet. Chirp signals were injected into the swashplate cyclic controls for both legs of the two out-and-back flights. Frequency responses were computed from the flight data, using both the Direct Method (DM) and the Joint-Input-Output (JIO) approach, for the identification of stability and control derivatives in forward flight conditions. The resulting identified state-space models were compared against existing flight dynamics simulation models, showing excellent correlation in the higher frequency range. External disturbances were seen to introduce a bias in the identified lower frequency responses, which was partially mitigated using the JIO method. These findings will inform future modeling and flight testing efforts of Mars rotorcraft.

Ingenuity↗

DOE OSTI2020

Protein Molecular Dynamics Simulations with Approximate QM: What Can We Learn?

Classical force fields are essential for computer simulations of proteins and are typically parameterized to reproduce secondary and tertiary structure of isolated proteins. However, while protein-protein interactions are ubiquitous in nature, they are not considered in parameterization efforts and are far less understood than isolated proteins. A better characterization of intermolecular interactions is widely recognized as a key to revolutionizing drug and therapeutic developments with high-throughput computational screening. Urgently needed is a critical assessment of the performance of modern protein force fields against first-principles electronic structure methods and experiments. In a daring step toward this goal, we here describe a comparison of peptide folding dynamics as predicted by a molecular mechanics force field on the one hand and by an approximate electronic structure quantum mechanical (QM) method based on density-functional tight-binding (DFTB) on the other. We further compare the dynamics from straightforward DFTB simulations with a near-linear scaling version of DFTB for massively parallel computation based on the fragment molecular orbital (FMO-DFTB) method. We illustrate differences between the phenomenology of the folding dynamics from these three methods for a small model peptide, as well as charge polarization and dynamic fluctuations, point out possible correlations and implications for force field developers, and discuss the lessons learned that might become applicable to future predictive high-throughput computer screening for personalized neoantigen cancer therapy.

Irle, Stephan↗

NASA NTRS1990

Recent trends in stratospheric ozone - Implications of ozone and temperature correlation

The relation between ozone and temperature in the upper stratosphere is used to estimate the drift in the SBUV spectrometer on Nimbus-7 and the linear trend in ozone from 1979 to 1986. The ozone and temperature variabilities are coupled through chemical and dynamical processes. In the upper stratosphere they are anticorrelated through temperature-dependent loss rates, while in the lower stratosphere their variabilities are positively correlated through dynamical coupling. These relations are used to determine the ozone sensitivity to temperature and ozone trends in terms of temperature trends. It is shown that in the upper stratosphere (approximately 2 mbar), the eight-year trend in ozone is a manifestation of dynamical perturbations. It varies from about +4 percent at the equator to about -1 to -2 percent at high latitudes in both hemispheres.

Chandra, S.↗

DOE OSTI2020

Field-Dependent Ionic Conductivities from Generalized Fluctuation-Dissipation Relations

We derive a relationship for the electric field dependent ionic conductivity in terms of fluctuations of time integrated microscopic variables. We demonstrate this formalism with molecular dynamics simulations of solutions of differing ionic strength with implicit solvent conditions and molten salts. These calculations are aided by a novel nonequilibrium statistical reweighting scheme that allows for the conductivity to be computed as a continuous function of the applied field. In strong electrolytes, we find the fluctuations of the ionic current are Gaussian, and subsequently, the conductivity is constant with applied field. In weaker electrolytes and molten salts, we find the fluctuations of the ionic current are strongly non-Gaussian, and the conductivity increases with applied field. Furthermore, this nonlinear behavior, known phenomenologically for dilute electrolytes as the Onsager-Wien effect, is general and results from the suppression of ionic correlations at large applied fields, as we elucidate through both dynamic and static correlations within nonequilibrium steady states.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

NASA NTRS1986

Analytical and experimental investigation of the coupled bladed disk/shaft whirl of a cantilevered turbofan

A simple analytical model for the structural dynamics of a rotating flexible blade/rigid disk/flexible cantilevered shaft system yields the equations of motion expressed in the rotating frame, showing that the blade's one-nodal diameter modes dynamically couple to the rigid body whirling motion of the shaft-disk system. This analytical model is correlated with the results of a structural dynamic experiment performed on an aeroelastic rotor fan that is similar to a high bypass ratio shroudless turbofan. The agreement between the predicted and experimental natural frequencies is good, and suggests significant interaction of the one-nodal diameter blade modes with the shaft-disk modes.

Crawley, E. F.↗

DOE OSTI2025

In Situ/Operando Probing of Dynamic Phase Structures of Alumina‐Supported Ultrasmall Copper‐Gold Alloy Nanoparticles Under Reaction Conditions

Abstract The ability to control phase structures and surface sites of ultrasmall alloy nanoparticles under reaction conditions is essential for preparing catalysts by design. This is, however, challenging due to limited understanding of the atomic‐scale phases and their correlation with the ensemble‐averaged structures and activities of catalysts during catalytic reactions. We reveal here a dynamic structural stability of alumina‐supported ultrasmall and equiatomic copper‐gold alloy nanoparticles under reaction conditions as a model system in the in situ/operando study. In situ atomic‐scale morphological tracking under oxygen reveals temperature‐dependent dynamic crystalline‐amorphous dual‐phase structures, showing dynamic stability over an elevated temperature range. This atomic‐scale dynamic phase stability coincides with a “conversion plateau” observed for carbon monoxide oxidation on the catalyst. It is substantiated by the stable lattice ordering/disordering structures and surface sites with oscillatory characteristics shown by operando ensemble‐average structural tracking of the catalyst during the oxidation reaction. The understanding of the atomic‐scale dynamic phase structures in correlation with the ensemble‐average dynamic ordering/disordering phase structures and surface sites provides fresh insights into the unique synergy of the supported alloy nanoparticles. This understanding has implications for the design and structural tuning of active and stable ultrasmall alloy catalysts under elevated temperatures.

Chemistry↗

DOE OSTI2021

Pseudoknot length modulates the folding, conformational dynamics, and robustness of Xrn1 resistance of flaviviral xrRNAs

To understand how RNA dynamics is regulated and connected to its function, we investigate the folding, conformational dynamics and robustness of Xrn1 resistance of a set of flaviviral xrRNAs using SAXS, smFRET and in vitro enzymatic assay. Flaviviral xrRNAs form discrete ring-like 3D structures, in which the length of a conserved longrange pseudoknot (PK2) ranges from 2 bp to 7 bp. We find that xrRNAs’ folding, conformational dynamics and Xrn1 resistance are strongly correlated and highly Mg 2+ - dependent, furthermore, the Mg 2+ -dependence is modulated by PK2 length variations. xrRNAs with long PK2 require less Mg 2+ to stabilize its folding, exhibits reduced conformational dynamics and strong Xrn1 resistance even at low Mg 2+ , and tolerates mutations at key tertiary motifs at high Mg 2+ , which generally are destructive to xrRNAs with short PK2. These results demonstrate an unusual regulatory mechanism of RNA dynamics providing insights into the functions and future biomedical applications of xrRNAs.

59 BASIC BIOLOGICAL SCIENCES↗

DOE OSTI2023

Magnetization dynamics with time-dependent spin-density functional theory: Significance of exchange-correlation torques

In spin-density functional theory (SDFT) for noncollinear magnetic materials, the Kohn-Sham system features exchange-correlation (xc) scalar potentials and magnetic fields. The significance of the xc magnetic fields is not very well explored; in particular, they can give rise to local torques on the magnetization, which are absent in standard local and semilocal approximations. Here, exact benchmark solutions for a five-site extended Hubbard lattice at half filling and in the presence of spin-orbit coupling are compared with SDFT results obtained using orbital-dependent exchange-only approximations. The magnetization dynamics following short-pulse excitations is found to be reasonably well described in the exchange-only approximation for weak to moderate interactions. For stronger interactions and near transitions between magnetically ordered and frustrated phases, exchange and correlation torques tend to compensate each other and must both be accounted for.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

NASA NTRS2001

Correlation Studies of Sea Ice Concentration with Surface Temperature and Meltponding

The spatial and temporal variability of sea ice concentrations derived from passive microwave data is studied in conjunction with co-registered high resolution infrared and visible satellite data. Cloud free infrared and visible data provide surface temperature and large scale surface characteristics, respectively, that can be used to better understand regional and seasonal fluctuations in ice concentrations. Results from correlation analysis of ice concentration versus surface temperature data show the intuitively expected negative relationship but the strength in the relationship is unexpectedly very strong. In the Antarctic, the correlation is consistently very high spatially when yearly anomalies are used, and not so high in some areas when seasonal anomalies are used, especially during spring and summer. In the monthly anomalies, the correlation is also good, especially in dynamically active regions. The expanse in the anomalies in surface temperature are shown to go way beyond the sea ice regions into the open ocean and continental areas, suggesting strong atmospheric forcing. Weak correlations are normally found in highly consolidated areas, where large changes in temperature do not cause large changes in ice concentration on a short term, and in open ocean polynya areas, where the change in ice concentration may be cause by melt from the underside of the ice. In the Arctic, strong correlations between surface temperature and ice concentration are evident for all seasons except during the summer. In the summer, factors such as meltponding, surface wetness, and ice breakup, as detected by high resolution visible data, contributes to larger uncertainties in the determination of ice concentration and the lack of good correlation of the variables.

Comiso, J. C.↗

DOE OSTI2023

Molecular dynamics analysis of particle number fluctuations in the mixed phase of a first-order phase transition

Molecular dynamics simulations are performed for a finite nonrelativistic system of particles with Lennard-Jones potential. We study the effect of liquid-gas mixed phase on particle number fluctuations in coordinate subspace. A metastable region of the mixed phase, the so-called nucleation region, is analyzed in terms of a noninteracting cluster model. Large fluctuations due to spinodal decomposition are observed. They arise due to the interplay between the size of the acceptance region and that of the liquid phase. These effects are studied with a simple geometric model. The model results for the scaled variance of particle number distribution are compared with those obtained from the direct molecular dynamic simulations.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

NASA NTRSDate not supplied

Wind Tunnel to Full Scale Mapping of Winds and Loads for Launch-Vehicle Ground Wind Loads

A launch vehicle ground-wind-loads program was conducted at the NASA Langley Transonic Dynamics Tunnel. The objectives were to quantify key aerodynamic and structural characteristics that impact the occurrence of large wind-induced oscillations of a launch vehicle when exposed to ground winds prior to launch. Of particular interest is the dynamic response of a launch vehicle when a von Kármán vortex street forms in the wake of the vehicle resulting in quasiperiodic lift and drag forces.Vehicle response to these quasiperiodic forces can become quite large when the frequency of vortex shedding nears that of a lowly-damped structural mode thereby exciting a resonant response. The study of ground-wind-loads presents unique challenges to quantify significant characteristics of the approaching wind and to relate the wind-tunnel acquired static, dynamic, and gravitational loads to full-scale vehicles. This paper will explain the correlation process between model-scale and full-scale wind characteristics and resulting structural loads. Characterization of the wind at a launch site requires knowledge of the vehicle dynamics and the anemometer performance. Vehicle dynamics dictate the frequency range of interest in characterization of the atmospheric turbulence, and in defining the required data window-length to model dynamic oscillation build-up during wind-gust analysis. Knowledge of the anemometer performance is required to infer peak wind magnitudes since most anemometers cannot directly measure instantaneous peak values. Following proper wind-speed correlation, static and dynamic wind-tunnel loads must be converted to full-scale equivalent values to derive design and operational guidance. In addition to the direct computation of full-scale equivalent loads using relevant scaling parameters, the corrections applied to dynamic loads accounting for differences in structural damping will also be discussed. Furthermore, a phenomenon that manifests in many slender and flexible launch vehicles is a load magnification due to gravity resulting from mass offset under deflection. A method for scaling this contribution from model-scale to full-scale is presented. Finally, a comparison of wind-tunnel derived loads using the described methodologies to launch vehicle measured loads is presented.

ground wind loads↗

NASA NTRSDate not supplied

Wind-Tunnel to Full-Scale Mapping of Winds and Loads for Launch-Vehicle Ground Wind Loads

A launch vehicle ground-wind-loads program was conducted at the NASA Langley Transonic Dynamics Tunnel. The objectives were to quantify key aerodynamic and structural characteristics that impact the occurrence of large wind-induced oscillations of a launch vehicle when exposed to ground winds prior to launch. Of particular interest is the dynamic response of a launch vehicle when a von Kármán vortex street forms in the wake of the vehicle resulting in quasiperiodic lift and drag forces. Vehicle response to these quasiperiodic forces can become quite large when the frequency of vortex shedding nears that of a lowly-damped structural mode thereby exciting a resonant response. The study of ground-wind-loads presents unique challenges to quantify significant characteristics of the approaching wind and to relate the wind-tunnel acquired static, dynamic, and gravitational loads to full-scale vehicles. This paper will explain the correlation process between model-scale and full-scale wind characteristics and resulting structural loads. Characterization of the wind at a launch site requires knowledge of the vehicle dynamics and the anemometer performance. Vehicle dynamics dictate the frequency range of interest in characterization of the atmospheric turbulence, and in defining the required data window-length to model dynamic oscillation build-up during wind-gust analysis. Knowledge of the anemometer performance is required to infer peak wind magnitudes since most anemometers cannot directly measure instantaneous peak values. Following proper wind-speed correlation, static and dynamic wind-tunnel loads must be converted to full-scale equivalent values to derive design and operational guidance. In addition to the direct computation of full-scale equivalent loads using relevant scaling parameters, the corrections applied to dynamic loads accounting for differences in structural damping will also be discussed. Furthermore, a phenomenon that manifests in many slender and flexible launch vehicles is a load magnification due to gravity resulting from mass offset under deflection. A method for scaling this contribution from model-scale to full-scale is presented. Finally, a comparison of wind-tunnel derived loads using the described methodologies to launch vehicle measured loads is presented.

Ground wind loads↗

NASA NTRS1990

Calculation of flight vibration levels of the AH-1G helicopter and correlation with existing flight vibration measurements

NASA-Langley is sponsoring a rotorcraft structural dynamics program with the objective to establish in the U.S. a superior capability to utilize finite element analysis models for calculations to support industrial design of helicopter airframe structures. In the initial phase of the program, teams from the major U.S. manufacturers of helicopter airframes will apply extant finite element analysis methods to calculate loads and vibrations of helicopter airframes, and perform correlations between analysis and measurements. The aforementioned rotorcraft structural dynamics program was given the acronym DAMVIBS (Design Analysis Method for Vibrations). Sikorsky's RDYNE Rotorcraft Dynamics Analysis used for the correlation study, the specifics of the application of RDYNE to the AH-1G, and comparisons of the predictions of the method with flight data for loads and vibrations on the AH-1G are described. RDYNE was able to predict trends of variations of loads and vibrations with airspeed, but in some instances magnitudes differed from measured results by factors of two or three to one. Sensitivities were studied of predictions to rotor inflow modeling, effects of torsional modes, number of blade bending modes, fuselage structural damping, and hub modal content.

Sopher, R.↗

DOE OSTI2022

Nuclear two point correlation functions on a quantum computer

The calculation of dynamic response functions is expected to be an early application benefiting from rapidly developing quantum hardware resources. The ability to calculate real-time quantities of strongly correlated quantum systems is one of the most exciting applications that can easily reach beyond the capabilities of traditional classical hardware. Response functions of fermionic systems at moderate momenta and energies corresponding roughly to the Fermi energy of the system are a potential early application because the relevant operators are nearly local, and the energies can be resolved in moderately short real time, reducing the spatial resolution and gate depth required. This is particularly the case in quasielastic electron and neutrino scattering from nuclei, a topic of great interest in the nuclear and particle physics communities and directly related to experiments designed to probe neutrino properties. In this paper we use current quantum hardware and error mitigation protocols to calculate response functions for a highly simplified nuclear model through calculations of a 2-point real time correlation function for a modified Fermi-Hubbard model in two dimensions with three distinguishable nucleons on four lattice sites.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

DOE OSTI2023

Operando characterization and regulation of metal dissolution and redeposition dynamics near battery electrode surface

Mn dissolution has been a longstanding, ubiquitous issue that negatively impacts the performance of Mn-based battery materials. Mn dissolution involves complex chemical and structural transformations at the electrode-electrolyte interface. The continuously evolving electrodeelectrolyte interface has posed great challenges for characterizing the dynamic interfacial process and quantitatively establishing the correlation with battery performance. In this study, we visualize and quantify the temporally and spatially resolved Mn dissolution/redeposition (D/R) dynamics of electrochemically operating Mn-containing cathodes. The particle-level and electrode-level analyses reveal that the D/R dynamics is associated with distinct interfacial degradation mechanisms at different states of charge. Our results statistically differentiate the contributions of surface reconstruction and Jahn-Teller distortion to the Mn dissolution at different operating voltages. Introducing sulfonated polymers (Nafion) into composite electrodes can modulate the D/R dynamics through trapping the dissolved Mn species and rapidly establishing the local Mn D/R equilibrium. This work represents an inaugural effort to pinpoint the chemical and structural transformations responsible for Mn dissolution via an operando synchrotron study and develops an effective method to regulate Mn interfacial dynamics for improving battery performance.

25 ENERGY STORAGE↗

DOE OSTI2021

Azimuthal dependence of two-particle transverse momentum current correlations

Two-particle transverse momentum correlation functions are a powerful technique for understanding the dynamics of relativistic heavy-ion collisions. Among these, the transverse momentum correlator G 2 (Δη,Δφ) is of particular interest for its potential sensitivity to the shear viscosity per unit of entropy density η/s of the quark-gluon plasma formed in heavy-ion collisions. We use the UrQMD, AMPT, and EPOS models for Au–Au at √ s NN = 200 GeV and Pb–Pb at √ s NN = 2760 GeV to investigate the long range azimuthal dependence of G 2 (Δη,Δφ), and explore its utility to constrain η/s based on charged particle correlations. We find that the three models yield quantitatively distinct transverse momentum Fourier harmonics coefficients $a$ $^{pT}_{n}$. We also observe these coefficients exhibit a significant dependence on η/s in the context of the AMPT model. These observations suggest that exhaustive measurements of the dependence of G 2 (Δφ) with collision energy, system size, collision centrality, in particular, offer the potential to distinguish between different theoretical models and their underlying assumptions. Exhaustive analyses of G 2 (Δφ) obtained in large and small systems should also be instrumental in establishing new constraints for precise extraction of η/s.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

NASA NTRS2000

Satellite-Derived Dynamics of Southern Ocean Sea Ice

Antarctic ERS-2, RADARSAT Synthetic Aperture Radar and ERS-1/2 Scatterometer images were analyzed with SMMI radiometer image time-series data to investigate seasonal variability in satellite-tracked sea-ice dynamics in the Southern Ocean during 1992. Supporting field data were acquired during 'in-situ' experiments including the winter 1992 Ice Station Weddell and Winter Weddell Gyre studies. A variety of surface measurements were made during these experiments including Argos-buoy deployment and GPS drift measurements. These are used in conjunction with International Program for Antarctic Buoys drift trajectories for ice-motion tracking validation. Comparisons between gridded Special Sensor Microwave Imager (SSMI) ice-motion vectors and European Center for Medium Range Weather Forecasts/National Centers for Environmental Prediction (ECMWF/NCEP) analyses indicate that large-scale drift is forced predominantly by the long-term mean, large-scale synoptic pressure field. Only sub-daily SAR sea-ice tracking can capture high-frequency fluctuations, driven by polar lows or tidal forcing. In these cases, sea-ice drift can respond rapidly to changes in forcing on semi-diurnal time scales depending on the location with respect to the coastline. Seasonality of ice drift, particularly in the Weddell and Ross Seas, is linked to ice extent and compactness, and internal ice stresses transmitted through the pack ice from the coast. Three-monthly seasonal climatologies are presented of austral winter of ice drift in the Southern Ocean. The large Weddell and Ross Sea gyres are clearly resolved along with key seasonal and spatial attributes of their cyclonic circulation. Regional time series of ice dynamics parameters are used to illustrate correlations with meteorological forcing. Persistent divergence such as that occurring in the Ronne-Filchner polynya system results in large fractions of new ice. Similarly, convergence zones produce large fractions of deformed ice and characterize the dynamics of regions where perennial ice is observed. High shear strains also help delineate the axis of the Antarctic divergence in many places in the ice cover. In these regions, the separation between the coastal 'east wind drift'and ACC-dominated drift regimes is characterized by zonally extended regions of intense shear.

Drinkwater, Mark R.↗