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All sourcesNASA NTRSDOE OSTI
NASA NTRS1999

Cardiac interbeat interval dynamics from childhood to senescence : comparison of conventional and new measures based on fractals and chaos theory

BACKGROUND: New methods of R-R interval variability based on fractal scaling and nonlinear dynamics ("chaos theory") may give new insights into heart rate dynamics. The aims of this study were to (1) systematically characterize and quantify the effects of aging from early childhood to advanced age on 24-hour heart rate dynamics in healthy subjects; (2) compare age-related changes in conventional time- and frequency-domain measures with changes in newly derived measures based on fractal scaling and complexity (chaos) theory; and (3) further test the hypothesis that there is loss of complexity and altered fractal scaling of heart rate dynamics with advanced age. METHODS AND RESULTS: The relationship between age and cardiac interbeat (R-R) interval dynamics from childhood to senescence was studied in 114 healthy subjects (age range, 1 to 82 years) by measurement of the slope, beta, of the power-law regression line (log power-log frequency) of R-R interval variability (10(-4) to 10(-2) Hz), approximate entropy (ApEn), short-term (alpha(1)) and intermediate-term (alpha(2)) fractal scaling exponents obtained by detrended fluctuation analysis, and traditional time- and frequency-domain measures from 24-hour ECG recordings. Compared with young adults (<40 years old, n=29), children (<15 years old, n=27) showed similar complexity (ApEn) and fractal correlation properties (alpha(1), alpha(2), beta) of R-R interval dynamics despite lower spectral and time-domain measures. Progressive loss of complexity (decreased ApEn, r=-0.69, P<0.001) and alterations of long-term fractal-like heart rate behavior (increased alpha(2), r=0.63, decreased beta, r=-0.60, P<0.001 for both) were observed thereafter from middle age (40 to 60 years, n=29) to old age (>60 years, n=29). CONCLUSIONS: Cardiac interbeat interval dynamics change markedly from childhood to old age in healthy subjects. Children show complexity and fractal correlation properties of R-R interval time series comparable to those of young adults, despite lower overall heart rate variability. Healthy aging is associated with R-R interval dynamics showing higher regularity and altered fractal scaling consistent with a loss of complex variability.

NASA Discipline Cardiopulmonary↗
NASA NTRS2016

Dynamic Characterization of Galfenol (Fe81.6Ga18.4)

Galfenol has the potential to transform the smart materials industry by allowing for the development of multifunctional, load-bearing devices. One of the primary technical challenges faced by this development is the very limited experimental data on Galfenol's frequency-dependent response to dynamic stress, which is critically important for the design of such devices. This report details a novel and precise characterization of the constitutive behavior of polycrystalline Galfenol (Fe81.6Ga18.4) under quasi-static (1 Hz) and dynamic (4 to 1000 Hz) stress loadings. Mechanical loads are applied using a high-frequency load frame. Quasi-static minor and major hysteresis loop measurements of magnetic flux density and strain are presented for constant electromagnet currents (0 to 1.1 A) and constant magnetic fields 0 to 14 kA/m (0 to 180 Oe). The dynamic stress amplitude for minor and major loops is 2.88 and 31.4 MPa (418 and 4550 psi), respectively. Quasi-static material properties closely match published values for similar Galfenol materials. Quasi-static actuation responses are also measured and compared to quasi-static sensing responses; the high degree of reversibility seen in the comparison is consistent with published measurements and modeling results. Dynamic major and minor loops are measured for dynamic stresses up to 31 MPa (4496 psi) and 1 kHz, and the bias condition resulting in maximum, quasi-static sensitivity. Eddy current effects are quantified by considering solid and laminated Galfenol rods. Three key sources of error in the dynamic measurements are accounted for: (1) electromagnetic noise in strain signals due to Galfenol's magnetic response, (2) error in load signals due to the inertial force of fixturing, and (3) phase misalignment between signals due to conditioning electronics. For dynamic characterization, strain error is kept below 1.2 percent of full scale by wiring two collocated gauges in series (noise cancellation) and through leadwire weaving. Inertial force error is kept below 0.41 percent by measuring the dynamic force in the specimen using a nearly collocated piezoelectric load washer. The phase response of all conditioning electronics is explicitly measured and corrected for. In general, as frequency is increased, the sensing response becomes more linear because of an increase in eddy currents. As frequency increases above approximately 100 Hz, the elbow in the strain-versus-stress response disappears as the active (soft) regime stiffens toward the passive (hard) regime. Under constant-field conditions, the loss factors of the solid rod peak between 200 and 600 Hz, rather than exhibiting a monotonic increase. Compared to the solid rod, the laminated rod exhibits much slower increases in hysteresis with frequency, and its quasi-static behavior extends to higher frequencies. The elastic modulus of the laminated rod decreases between 100 and 300 Hz; this trend is currently unexplained.

Dynamic sensing↗
NASA NTRS2019

Extraction of Dynamic Inflow Models for Coaxial and Tandem Rotors from CFD Simulations

The dynamic inflow coupling with rotor/body dynamics is crucial in the analysis of stability and control law design for helicopters. Over the past several decades, finite-state inflow models for single rotor configurations in hover, forward flight, and maneuver have developed (Ref.1-3). By capturing the interference effects between rotors, the extension of pressure potential finite state inflow model has promising result for coaxial rotor configuration (Ref.4-6). Recently, the focus of the dynamic inflow modeling has shifted to tandem rotor configurations (Ref.7, 8). The development of the dynamic inflow models for tandem rotor configuration still have some limitations due to the lack of knowledge of rotor-to-rotor interference, and rotor-wake interference. Experimental methods, and computational fluid dynamics methods are commonly used to understand the rotor performance and rotor airload variations, and measure or predict inflow velocity distributions at the rotor desk. The inflow distributions are subsequently used to improve the dynamic inflow models. Tandem rotor configurations have been studied experimentally and computationally for several decades (Ref.9-12). Sweet (Ref.10) observed that a tandem rotor with 76-percent-radius overlap required 14% more induced power at hovering condition, relative to an isolated rotor of equivalent disk area. Sweet also found that, above a shaft-to-shaft distance of 1.03 diameter, the performance of the tandem rotor was nearly the same as two isolated rotors. The objective of the present study is to apply computational fluid dynamics simulations of tandem rotors for the extraction of dynamic inflow models. The extended methodology is first validated by comparing the computed induced power against test data. Subsequently inflow distributions and wake structures are analyzed.

Extraction of Dynamic Inflow Models↗
DOE OSTI2014

Optimized Uncertainty Quantification Algorithm Within a Dynamic Event Tree Framework

Methods for developing Phenomenological Identification and Ranking Tables (PIRT) for nuclear power plants have been a useful tool in providing insight into modelling aspects that are important to safety. These methods have involved expert knowledge with regards to reactor plant transients and thermal-hydraulic codes to identify are of highest importance. Quantified PIRT provides for rigorous method for quantifying the phenomena that can have the greatest impact. The transients that are evaluated and the timing of those events are typically developed in collaboration with the Probabilistic Risk Analysis. Though quite effective in evaluating risk, traditional PRA methods lack the capability to evaluate complex dynamic systems where end states may vary as a function of transition time from physical state to physical state . Dynamic PRA (DPRA) methods provide a more rigorous analysis of complex dynamic systems. A limitation of DPRA is its potential for state or combinatorial explosion that grows as a function of the number of components; as well as, the sampling of transition times from state-to-state of the entire system. This paper presents a method for performing QPIRT within a dynamic event tree framework such that timing events which result in the highest probabilities of failure are captured and a QPIRT is performed simultaneously while performing a discrete dynamic event tree evaluation. The resulting simulation results in a formal QPIRT for each end state. The use of dynamic event trees results in state explosion as the number of possible component states increases. This paper utilizes a branch and bound algorithm to optimize the solution of the dynamic event trees. The paper summarizes the methods used to implement the branch-and-bound algorithm in solving the discrete dynamic event trees.

42 ENGINEERING↗
DOE OSTI2019

Identification of Performance Shaping Factor Lag and Linger Effects for Dynamic Human Reliability Analysis: Application of Experimental Data

Many researchers have emphasized the importance of dynamic probabilistic safety assessment (PSA), which highlights the necessity of studies for dynamic human reliability analysis (HRA). Dynamic HRA concentrates on a dynamic account of human actions or how performance shaping factors (PSFs) can dynamically modify the human error probability (HEP) over time. In contrast, existing static HRA does not consider human actions as changes over time or event progressions. Accordingly, previous research on dynamic HRA conceptually suggested PSF lag and linger effects to treat dependence between operator actions in dynamic HRA versus existing approaches. As follow-up research, this study attempted to identify PSF lag and linger effects for dynamic HRA on the basis of experimental data. Firstly, mathematical models for PSF lag and linger effects were developed based on a literature survey in the field of biology. Secondly, we analyzed experimental scenarios from a control room study to identify operator actions considered in PSA. Lastly, based on the experimental data, the effect of the stress PSF with lag and linger effects was compared to that without PSF lag and linger effects. This paper concludes with an overall discussion of PSF lag and linger effects based on the relation between the stress PSF and error occurrence.

99 GENERAL AND MISCELLANEOUS↗
DOE OSTI2018

Comparison of sparse domain approaches for 4D SPECT dynamic image reconstruction

Purpose: Dynamic imaging (DI) provides additional diagnostic information in emission tomography in comparison to conventional static imaging at the cost of being computationally more challenging. Dynamic single photon emission computed tomography (SPECT) reconstruction is particularly difficult because of the limitations in the sampling geometry present in most existing scanners. We have developed an algorithm Spline Initialized Factor Analysis of Dynamic Structures (SIFADS) that is a matrix factorization method for reconstructing the dynamics of tracers in tissues and blood directly from the projections in dynamic cardiac SPECT, without first resorting to any 3D reconstruction. Methods: SIFADS is different from "pure" factor analysis in dynamic structures (FADS) in that it employs a dedicated spline-based pre-initialization. In this paper, we analyze the convergence properties of SIFADS and FADS using multiple metrics. The performances of the two approaches are evaluated for numerically simulated data and for real dynamic SPECT data from canine and human subjects. Results: For SIFADS, metrics analyzed for reconstruction algorithm convergence show better features of the metric curves vs iterations. In addition, SIAFDS provides better tissue segmentations than that from pure FADS. Measured computational times are also typically better for SIFADS implementations than those with pure FADS. Conclusion: The analysis supports the utility of the pre-initialization of a factorization algorithm for better dynamic SPECT image reconstruction.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2019

Binocular high dynamic range imaging system based on digital micromirror device

In the applications of scientific imaging and space exploration, the dynamic range of imaging systems is usually required to reach more than 120 dB. In order to observe a highly dynamic scene in real time, we designed an imaging system based on a digital micromirror device (DMD) that is used as a spatial light modulator. First, we designed a binocular highly dynamic light-adjusting system based on a DMD according to the DMD’s optical structure. Second, in order to realize the registration between the micromirrors of a DMD and pixels of the two cameras, a pixel-matching algorithm was developed. Finally, we introduce a novel light-adjusting algorithm that can recover the highly dynamic data of the dynamic scene. Experiments showed that the deviation between the DMD and the two cameras is reduced to 0.48 pixels after correction, and that bright and dark targets in a high-dynamic-range scene can both be displayed simultaneously in one image with high quality after light adjustment. The dynamic range of the system is theoretically 209 dB, which meets the requirements of high-dynamic-range observation.

42 ENGINEERING↗
DOE OSTI2025

Enhancing EnergyPlus capabilities to model dynamic building envelopes using python plugin

Nearly half of the energy consumption in the United States is related to buildings, resulting in an urgent need to develop innovative technologies to improve building energy efficiency. Dynamic building envelopes, comprising switchable insulation and thermal energy storage materials, have been proposed recently as a promising solution to reduce buildings' heating and cooling loads by thermally coupling the indoor environment with the ambient environment when beneficial while decoupling them when outdoor conditions are not favorable. Although various related technologies are still underway, the whole-building energy modeling tools, like EnergyPlus, do not have the capability to simulate the transient and dynamic nature of dynamic envelope materials and components to accurately predict their impact on building energy use. The objective of this study is to formulate a method in EnergyPlus simulation engine to model multilayer envelopes, comprising dynamic building materials with variable thermophysical properties, and discuss the changes made to the program using a Python plugin. Furthermore, the thermal performance of the dynamic envelopes using the proposed method is compared and verified with the results from a well-established commercial code, COMSOL Multiphysics. A parametric assessment is also conducted to evaluate the energy efficiency benefits of dynamic envelopes in a single-family residential building, demonstrating total annual energy savings up to 11.6 %, when a dynamic envelope operates alone, and up to 18.2 % when it is combined with a thin layer of phase change material as a thermal storage medium. Finally, a United States wide energy efficiency assessment is presented to showcase the geographical spread of the energy savings. The method designed and implemented in this study provides the researchers with the ability to implement their dynamic insulation methods in EnergyPlus and evaluate the whole building energy impact.

25 ENERGY STORAGE↗
DOE OSTI2024

Site Disorder Drives Cyanide Dynamics and Fast Ion Transport in Li 6 PS 5 CN

Halide argyrodite solid-state electrolytes of the general formula Li 6 PS 5 X exhibit complex static and dynamic disorder that plays a crucial role in ion transport processes. Here, we unravel the rich interplay between site disorder and dynamics in the plastic crystal argyrodite Li 6 PS 5 CN and the impact on ion diffusion processes through a suite of experimental and computational methodologies, including temperature-dependent synchrotron powder X-ray diffraction, AC electrochemical impedance spectroscopy, 7 Li solid-state NMR, and machine learning-assisted molecular dynamics simulations. Sulfide and (pseudo)halide site disorder between the two anion sublattices unilaterally improves long-range lithium diffusion irrespective of the (pseudo)halide identity, which demonstrates the importance of site disorder in dictating bulk ionic conductivity in the argyrodite family. Furthermore, we find that anion site disorder modulates the presence and time scales of cyanide rotational dynamics. Ordered configurations of anions enable fast, quasi-free rotations of cyanides that occur on time scales of 10 11 Hz at T = 300 K. In contrast, we find that cyanide dynamics are slow or frozen in Li 6 PS 5 CN when site disorder between the cyanide and sulfide sublattices is present at T = 300 K. We rationalize the observed differences in cyanide dynamics in the context of elastic dipole interactions between neighboring cyanide anions and local strain induced by the configurations of site disorder that may impact the energetic landscape for cyanide rotational dynamics. Through this study, we find that anion disorder plays a decisive role in dictating the extent and time scales of both lithium ion and cyanide dynamics in Li 6 PS 5 CN.

36 MATERIALS SCIENCE↗
DOE OSTI2018

Ab Initio Nonadiabatic Quantum Molecular Dynamics

Here, the Born–Oppenheimer approximation underlies much of chemical simulation and provides the framework defining the potential energy surfaces that are used for much of our pictorial understanding of chemical phenomena. However, this approximation breaks down when the dynamics of molecules in excited electronic states are considered. Describing dynamics when the Born–Oppenheimer approximation breaks down requires a quantum mechanical description of the nuclei. Chemical reaction dynamics on excited electronic states is critical for many applications in renewable energy, chemical synthesis, and bioimaging. Furthermore, it is necessary in order to connect with many ultrafast pump–probe spectroscopic experiments. In this review, we provide an overview of methods that can describe nonadiabatic dynamics, with emphasis on those that are able to simultaneously address the quantum mechanics of both electrons and nuclei. Such ab initio quantum molecular dynamics methods solve the electronic Schrödinger equation alongside the nuclear dynamics and thereby avoid the need for precalculation of potential energy surfaces and nonadiabatic coupling matrix elements. Two main families of methods are commonly employed to simulate nonadiabatic dynamics in molecules: full quantum dynamics, such as the multiconfigurational time-dependent Hartree method, and classical trajectory-based approaches, such as trajectory surface hopping. In this review, we describe a third class of methods that is intermediate between the two: Gaussian basis set expansions built around trajectories.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2016

Dynamics of polydots: Soft luminescent polymeric nanoparticles

The conformation and dynamics of luminescent polymers collapsed into nanoparticles or polydots were studied using fully atomistic molecular dynamics (MD) simulations, providing a first insight into their internal dynamics. Controlling the conformation and dynamics of confined polymers is essential for realization of the full potential of polydots in nanomedicine and biotechnology. Specifically, the shape and internal dynamics of polydots that consist of highly rigid dialkyl p-phenylene ethynylene (PPE) are probed as a function of temperature. At room temperature, the polydots are spherical without any correlations between the aromatic rings on the PPE backbone. With increasing temperature, they expand and become slightly aspherical; however, the polymers remain confined. The coherent dynamic structure factor reveals that the internal motion of the polymer backbone is arrested, and the side chains dominate the internal dynamics of the polydots. Lastly, these new soft nanoparticles retain their overall shape and dynamics over an extended temperature range, and their conformation is tunable via their degree of expansion.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2014

Potential and flux field landscape theory. II. Non-equilibrium thermodynamics of spatially inhomogeneous stochastic dynamical systems

We have established a general non-equilibrium thermodynamic formalism consistently applicable to both spatially homogeneous and, more importantly, spatially inhomogeneous systems, governed by the Langevin and Fokker-Planck stochastic dynamics with multiple state transition mechanisms, using the potential-flux landscape framework as a bridge connecting stochastic dynamics with non-equilibrium thermodynamics. A set of non-equilibrium thermodynamic equations, quantifying the relations of the non-equilibrium entropy, entropy flow, entropy production, and other thermodynamic quantities, together with their specific expressions, is constructed from a set of dynamical decomposition equations associated with the potential-flux landscape framework. The flux velocity plays a pivotal role on both the dynamic and thermodynamic levels. On the dynamic level, it represents a dynamic force breaking detailed balance, entailing the dynamical decomposition equations. On the thermodynamic level, it represents a thermodynamic force generating entropy production, manifested in the non-equilibrium thermodynamic equations. The Ornstein-Uhlenbeck process and more specific examples, the spatial stochastic neuronal model, in particular, are studied to test and illustrate the general theory. This theoretical framework is particularly suitable to study the non-equilibrium (thermo)dynamics of spatially inhomogeneous systems abundant in nature. This paper is the second of a series.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2015

Dynamic granularity of imaging systems

Imaging systems that include a specific source, imaging concept, geometry, and detector have unique properties such as signal-to-noise ratio, dynamic range, spatial resolution, distortions, and contrast. Some of these properties are inherently connected, particularly dynamic range and spatial resolution. It must be emphasized that spatial resolution is not a single number but must be seen in the context of dynamic range and consequently is better described by a function or distribution. We introduce the “dynamic granularity” G dyn as a standardized, objective relation between a detector’s spatial resolution (granularity) and dynamic range for complex imaging systems in a given environment rather than the widely found characterization of detectors such as cameras or films by themselves. We found that this relation can partly be explained through consideration of the signal’s photon statistics, background noise, and detector sensitivity, but a comprehensive description including some unpredictable data such as dust, damages, or an unknown spectral distribution will ultimately have to be based on measurements. Measured dynamic granularities can be objectively used to assess the limits of an imaging system’s performance including all contributing noise sources and to qualify the influence of alternative components within an imaging system. Our article explains the construction criteria to formulate a dynamic granularity and compares measured dynamic granularities for different detectors used in the X-ray backlighting scheme employed at Sandia’s Z-Backlighter facility.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2016

Substituent effects on dynamics at conical intersections: Allene and methyl allenes

We report a joint experimental and theoretical study on the ultrafast excited state dynamics of allene and a series of its methylated analogues (1,2-butadiene, 1,1-dimethylallene, and tetramethylallene) in order to elucidate the conical intersection mediated dynamics that give rise to ultrafast relaxation to the ground electronic state. We use femtosecond time-resolved photoelectron spectroscopy (TRPES) to probe the coupled electronic-vibrational dynamics following UV excitation at 200 nm (6.2 eV). Ab initio multiple spawning (AIMS) simulations are employed to determine the mechanistic details of two competing dynamical pathways to the ground electronic state. In all molecules, these pathways are found to involve as follows: (i) twisting about the central allenic C–C–C axis followed by pyramidalization at one of the terminal carbon atoms and (ii) bending of allene moiety. Importantly, the AIMS trajectory data were used for ab initio simulations of the TRPES, permitting direct comparison with experiment. For each molecule, the decay of the TRPES signal is characterized by short (30 fs, 52 fs, 23 fs) and long (1.8 ps, 3.5 ps, [306 fs, 18 ps]) time constants for 1,2-butadiene, 1,1-dimethylallene, and tetramethylallene, respectively. However, AIMS simulations show that these time constants are only loosely related to the evolution of electronic character and actually more closely correlate to large amplitude motions on the electronic excited state, modulating the instantaneous vertical ionization potentials. Furthermore, the fully substituted tetramethylallene is observed to undergo qualitatively different dynamics, as displacements involving the relatively massive methyl groups impede direct access to the conical intersections which give rise to the ultrafast relaxation dynamics observed in the other species. These results show that the branching between the “twisting” and “bending” pathways can be modified via the selective methylation of the terminal carbon atoms of allene. The interplay between inertial and potential effects is a key to understanding these dynamical branching pathways. The good agreement between the simulated and measured TRPES confers additional confidence to the dynamical picture presented here.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2016

Associative Yang-Baxter equation for quantum (semi-)dynamical R-matrices

In this paper we propose versions of the associative Yang-Baxter equation and higher order R-matrix identities which can be applied to quantum dynamical R-matrices. As is known quantum non-dynamical R-matrices of Baxter-Belavin type satisfy this equation. Together with unitarity condition and skew-symmetry it provides the quantum Yang-Baxter equation and a set of identities useful for different applications in integrable systems. The dynamical R-matrices satisfy the Gervais-Neveu-Felder (or dynamical Yang-Baxter) equation. Relation between the dynamical and non-dynamical cases is described by the IRF (interaction-round-a-face)-Vertex transformation. An alternative approach to quantum (semi-)dynamical R-matrices and related quantum algebras was suggested by Arutyunov, Chekhov, and Frolov (ACF) in their study of the quantum Ruijsenaars-Schneider model. The purpose of this paper is twofold. First, we prove that the ACF elliptic R-matrix satisfies the associative Yang-Baxter equation with shifted spectral parameters. Second, we directly prove a simple relation of the IRF-Vertex type between the Baxter-Belavin and the ACF elliptic R-matrices predicted previously by Avan and Rollet. It provides the higher order R-matrix identities and an explanation of the obtained equations through those for non-dynamical R-matrices. As a by-product we also get an interpretation of the intertwining transformation as matrix extension of scalar theta function likewise R-matrix is interpreted as matrix extension of the Kronecker function. Relations to the Gervais-Neveu-Felder equation and identities for the Felder’s elliptic R-matrix are also discussed.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2023

Efficient fully-coherent quantum signal processing algorithms for real-time dynamics simulation

Simulating the unitary dynamics of a quantum system is a fundamental problem of quantum mechanics, in which quantum computers are believed to have significant advantage over their classical counterparts. One prominent such instance is the simulation of electronic dynamics, which plays an essential role in chemical reactions, non-equilibrium dynamics, and material design. These systems are time-dependent, which requires that the corresponding simulation algorithm can be successfully concatenated with itself over different time intervals to reproduce the overall coherent quantum dynamics of the system. In this paper, we quantify such simulation algorithms by the property of being fully-coherent: the algorithm succeeds with arbitrarily high success probability 1 − δ while only requiring a single copy of the initial state. Here we subsequently develop fully-coherent simulation algorithms based on quantum signal processing (QSP), including a novel algorithm that circumvents the use of amplitude amplification while also achieving a query complexity additive in time t, ln(1/δ), and ln(1/ϵ) for error tolerance ϵ: $Θ‖\mathscr{H}‖|t|+ln(1/ϵ)+ln(1/δ)$. Furthermore, we numerically analyze these algorithms by applying them to the simulation of the spin dynamics of the Heisenberg model and the correlated electronic dynamics of an H2 molecule. Since any electronic Hamiltonian can be mapped to a spin Hamiltonian, our algorithm can efficiently simulate time-dependent ab initio electronic dynamics in the circuit model of quantum computation. Accordingly, it is also our hope that the present work serves as a bridge between QSP-based quantum algorithms and chemical dynamics, stimulating a cross-fertilization between these exciting fields.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2013

THE M87 BLACK HOLE MASS FROM GAS-DYNAMICAL MODELS OF SPACE TELESCOPE IMAGING SPECTROGRAPH OBSERVATIONS

The supermassive black hole of M87 is one of the most massive black holes known and has been the subject of several stellar and gas-dynamical mass measurements; however, the most recent revision to the stellar-dynamical black hole mass measurement is a factor of about two larger than the previous gas-dynamical determinations. Here, we apply comprehensive gas-dynamical models that include the propagation of emission-line profiles through the telescope and spectrograph optics to new Space Telescope Imaging Spectrograph observations from the Hubble Space Telescope. Unlike the previous gas-dynamical studies of M87, we map out the complete kinematic structure of the emission-line disk within {approx}40 pc from the nucleus, and find that a small amount of velocity dispersion internal to the gas disk is required to match the observed line widths. We examine a scenario in which the intrinsic velocity dispersion provides dynamical support to the disk, and determine that the inferred black hole mass increases by only 6%. Incorporating this effect into the error budget, we ultimately measure a mass of M{sub BH}= (3.5{sup +0.9}{sub -0.7}) Multiplication-Sign 10{sup 9} M{sub sun} (68% confidence). Our gas-dynamical black hole mass continues to differ from the most recent stellar-dynamical mass by a factor of two, underscoring the need for carrying out more cross-checks between the two main black hole mass measurement methods.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2020

Ba ( Ti 1 - x , Zr x ) O 3 relaxors: Dynamic ferroelectrics in the gigahertz frequency range

Relaxor ferroelectrics are of great scientific and technological significance as they exhibit large and unusual responses to external stimuli. Their hallmark features are broadness and frequency dispersion of the peak in the temperature dependence of the dielectric constant. Both are believed to originate from the dynamics of polar nanoregions. Here, we apply first-principles-based molecular dynamics to resolve the gigahertz electric response of dynamically poled Ba (Ti 1 - x , Zr x ) O 3 ferroelectric relaxors that remained overlooked so far. We find that (i) the hallmark relaxor features continue to persist even in the dynamically poled structures, but do not necessarily originate from the polar nanoregions dynamics; (ii) dynamically poled samples exhibit polarization aging which leads to the frequency dependence of both remnant polarization and the Curie temperature; (iii) “dynamical” nature of the latter naturally explains the frequency dependence of the dielectric susceptibility maximum in dynamically poled Ba (Ti 1 - x , Zr x) O 3 ; and (iv) incorporation of the polarization aging into dielectric susceptibility expression explains its enhancing contribution in an intuitive way.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗