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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 415 records · Page 23
All sourcesNASA NTRSDOE OSTI
DOE OSTI2015

Bubble nucleation in simple and molecular liquids via the largest spherical cavity method

In this work, we propose a methodology to compute bubble nucleation free energy barriers using trajectories generated via molecular dynamics simulations. We follow the bubble nucleation process by means of a local order parameter, defined by the volume of the largest spherical cavity (LSC) formed in the nucleating trajectories. This order parameter simplifies considerably the monitoring of the nucleation events, as compared with the previous approaches which require ad hoc criteria to classify the atoms and molecules as liquid or vapor. The combination of the LSC and the mean first passage time technique can then be used to obtain the free energy curves. Upon computation of the cavity distribution function the nucleation rate and free-energy barrier can then be computed. We test our method against recent computations of bubble nucleation in simple liquids and water at negative pressures. We obtain free-energy barriers in good agreement with the previous works. The LSC method provides a versatile and computationally efficient route to estimate the volume of critical bubbles the nucleation rate and to compute bubble nucleation free-energies in both simple and molecular liquids.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2026

Compact representation and long-time extrapolation of real-time data for quantum systems using the ESPRIT algorithm

Representing real-time data as a sum of complex exponentials provides a compact form that enables both denoising and extrapolation. As a fully data-driven method, the Estimation of Signal Parameters via Rotational Invariance Techniques (ESPRIT) algorithm is agnostic to the underlying physical equations, making it broadly applicable to various observables and experimental or numerical setups. In this work, we consider applications of the ESPRIT algorithm primarily to extend real-time dynamical data from simulations of quantum systems. We evaluate ESPRIT's performance in the presence of noise and compare it to other extrapolation methods. We demonstrate its ability to extract information from short-time dynamics to reliably predict long-time behavior and determine the minimum time interval required for accurate results. We discuss how this insight can be leveraged in numerical methods that propagate quantum systems in time, and we show how ESPRIT can predict infinite-time values of dynamical observables, offering a purely data-driven approach to characterizing quantum phases.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2020

A Flux Detection Probe to Quantify Dynamic Groundwater-Surface Water Exchange in the Hyporheic Zone

A new probe was designed to quantify groundwater-surface water exchange in the hyporheic zone under dynamic stage condition. Current methods focus on either vertical pore water velocity or Darcy flux measurements. Both parameters must be understood to evaluate residence time and mass flux of constituents. Furthermore, most instruments are not well suited for monitoring instantaneous velocity or flux under dynamic exchange conditions. For this reason, the flux detection probe (FDP) was designed that employs electrogeophysical measurements to estimate in situ sediment porosity, which can be used to convert pore water velocity to Darcy flux. Dynamic pore water velocity is obtained by monitoring fluid conductivity and temperature along the FDP probe. Pressure sensors deployed at the top and bottom of the probe provide the additional information necessary to estimate vertical permeability. This study focuses on the use of a geophysical method to estimate pore water velocity, porosity, and permeability within a controlled soil column where simulated river water displaces simulated groundwater. The difference between probe derived and theoretical pore water velocity using natural tracers such as electrical conductivity and temperature was -4.9 and 3.9% for downward flow and 1.1 and 12.8% for upward flow, respectively. The difference in porosity calculated from mass and volume packed in the soil column and probe measure porosity ranged between -3.2% and 1.5%. Also, the calculated hydraulic conductivity differed from probe derived values by -8.9%.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2025

Proton Dynamics Scenarios in the Integrable Optics Test Accelerator (IOTA) at Fermilab

The Integrable Optics Test Accelerator (IOTA) at Fermilab provides a versatile platform for studying the interplay of space-charge, impedance, and non-linear optics in high-intensity hadron beams within synchrotrons and storage rings. This report examines the parameters and dynamics of 2.5~MeV proton beam operations in two configurations of the bare IOTA lattice: one for demonstrating Non-linear Integrable Optics with the Danilov-Nagaitsev magnet, and the other for use with electron cooling. We offer order-of-magnitude estimates of the transverse emittance growth rate as a function of beam intensity, highlighting contributions from residual gas scattering, intra-beam scattering, and space-charge effects. Under nominal conditions, the beam lifetime is projected to be less than 7~minutes at low intensity with the current vacuum quality, and fewer than 100,000~turns at high intensity due to strong space-charge effects. The calculations presented here will guide strategies to mitigate emittance growth and inform future IOTA experiments.

43 PARTICLE ACCELERATORS↗
DOE OSTI2016

Modeling Heat Loss through Piston and Effects of Thermal Boundary Coatings in Diesel Engine Simulations using Conjugate Heat Transfer models

Heat loss through wall boundaries play a dominant role in the overall performance and efficiency of internal combustion engines. Typical engine simulations use constant temperature wall boundary conditions. These boundary conditions cannot be estimated accurately from experiments due to the complexities involved with engine combustion. As a result they introduce a large uncertainty in engine simulations and serve as a tuning parameter. Modeling the process of heat transfer through the solid walls in an unsteady engine computational fluid dynamics (CFD) simulation can lead to the development of higher fidelity engine calculations. These models can be used to study the impact of heat loss on engine efficiency and explore new design methodologies that can reduce heat losses. In this work, a single cylinder diesel engine is modeled along with the solid piston coupled to the fluid domain. Conjugate heat transfer (CHT) modeling techniques were implemented to model heat losses for a full cycle of a Navistar diesel engine. This CFD model is then validated against experimental data available from thermocouples embedded inside the piston surface. The overall predictions from the model match closely with the experimental observations. The validated model is further used to explore the benefits of thermal barrier coatings (TBC) on piston bowls. The effect of TBC coatings were modeled as a thermal resistance in the heat transfer models. Full cycle 3D engine simulations provide quantitative insights into heat loss and thus calculate the efficiency gain by the use of TBC coatings. The work establishes a validated modeling framework for CHT modeling in reciprocating engine simulations.

Kundu, Prithwish↗
DOE OSTI2015

Artificial Neural Network-Based Monitoring of the Fuel Assembly Temperature Sensor and FPGA Implementation

Numerous methods have been developed around the world to model the dynamic behavior and detect a faulty operating mode of a temperature sensor. In this context, we present in this study a new method based on the dependence between the fuel assembly temperature profile on control rods positions, and the coolant flow rate in a nuclear reactor. This seems to be possible since the insertion of control rods at different axial positions and variations in flow rate of the reactor coolant results in different produced thermal power in the reactor. This is closely linked to the instant fuel rod temperature profile. In a first step, we selected parameters to be used and confirmed the adequate correlation between the chosen parameters and those to be estimated by the proposed monitoring system. In the next step, we acquired and de-noised the data of corresponding parameters, the qualified data is then used to design and train the artificial neural network. The effective data denoising was done by using the wavelet transform to remove a various kind of artifacts such as inherent noise. With the suitable choice of wavelet level and smoothing method, it was possible for us to remove all the non-required artifacts with a view to verify and analyze the considered signal. In our work, several potential mother wavelet functions (Haar, Daubechies, Bi-orthogonal, Reverse Bi-orthogonal, Discrete Meyer and Symlets) were investigated to find the most similar function with the being processed signals. To implement the proposed monitoring system for the fuel rod temperature sensor (03 wire RTD sensor), we used the Bayesian artificial neural network 'BNN' technique to model the dynamic behavior of the considered sensor, the system correlate the estimated values with the measured for the concretization of the proposed system we propose an FPGA (field programmable gate array) implementation. The monitoring system use the correlation. (authors)

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2024

Development of Thermal Scattering Law and Cross Sections of Hydrogen in Paraffin Wax

Paraffin wax is frequently used as a neutron moderator and shielding material. The main component of paraffin wax is straight-chain alkanes (n-alkanes). The deposition of paraffin wax is primarily attributed to the crystallization of n-alkanes. It is important to gain a deeper understanding of the mechanisms underlying the behavior of paraffin wax, which would impact the thermal scattering Law (TSL) and cross sections and affect the analysis of neutronic and critical systems. In this work, a classical molecular dynamics (CMD) simulation model was used in LAMMPS to create the TSL and cross sections at room temperature and pressure. To generate the required velocity autocorrelation functions (VACF), previously published data were used to validate the approach and models by comparing them with key model parameters. The phonon density of state (DOS) was calculated using Fourier transformation of the normalized VACF. This DOS was used as the primary input to estimate the TSL (S($a$, $β$)) and cross sections of hydrogen in paraffin wax. The TSL and cross sections of hydrogen were estimated using the Full Law Analysis Scattering System Hub (FLASSH) code. The cross section of hydrogen in paraffin wax is consistent with other hydrocarbon materials such as polyethylene with deviations due to structure in the lowest energy region.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2019

Potential Energy Implications of Connected and Automated Vehicles: Exploring Key Leverage Points through Scenario Screening and Analysis

Connected and automated vehicle (CAV) technologies could transform the transportation system over the coming decades, but face vehicle and systems engineering challenges, as well as technological, economic, demographic, and regulatory issues. The authors have developed a system dynamics model for generating, analyzing, and screening self-consistent CAV adoption scenarios. Results can support selection of scenarios for subsequent computationally intensive study using higher-resolution models. The potential for and barriers to large-scale adoption of CAVs have been analyzed using preliminary quantitative data and qualitative understandings of system relationships among stakeholders across the breadth of these issues. Although they are based on preliminary data, the results map possibilities for achieving different levels of CAV adoption and system-wide fuel use and demonstrate the interplay of behavioral parameters such as how consumers value their time versus financial parameters such as operating cost. By identifying the range of possibilities, estimating the associated energy and transportation service outcomes, and facilitating screening of scenarios for more detailed analysis, this work could inform transportation planners, researchers, and regulators.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗
DOE OSTI2018

Modeling error PDF optimization based wavelet neural network modeling of dynamic system and its application in blast furnace ironmaking

In general, the modeling errors of dynamic system model are a set of random variables. The traditional performance index of modeling such as means square error (MSE) and root means square error (RMSE) can not fully express the connotation of modeling errors with stochastic characteristics both in the dimension of time domain and space domain. Therefore, the probability density function (PDF) is introduced to completely describe the modeling errors in both time scales and space scales. Based on it, a novel wavelet neural network (WNN) modeling method is proposed by minimizing the two-dimensional (2D) PDF shaping of modeling errors. First, the modeling error PDF by the tradional WNN is estimated using data-driven kernel density estimation (KDE) technique. Then, the quadratic sum of 2D deviation between the modeling error PDF and the target PDF is utilized as performance index to optimize the WNN model parameters by gradient descent method. Since the WNN has strong nonlinear approximation and adaptive capability, and all the parameters are well optimized by the proposed method, the developed WNN model can make the modeling error PDF track the target PDF, eventually. Simulation example and application in a blast furnace ironmaking process show that the proposed method has a higher modeling precision and better generalization ability compared with the conventional WNN modeling based on MSE criteria. Furthermore, the proposed method has more desirable estimation for modeling error PDF that approximates to a Gaussian distribution whose shape is high and narrow.

Modelling↗
DOE OSTI2020

Calibrating Synchronous-Generator-Interfaced DG Models in Microgrids Using Multiple Event Data

Microgrids, consisting of distributed generators (DGs), loads, and energy storage systems, play an important role in future smart grids. In order to evaluate how microgrids operate and their dynamic response, it is necessary to develop accurate dynamic models of DGs in microgrids. This paper proposes a systematic method to calibrate synchronous-generator-interfaced DG models. Challenges associated with model validation in microgrids are analyzed. Underlying parameters are categorized into two groups, i.e., the steady-state parameters and time constants, which are estimated in two successive stages using multiple event data. This methodology ensures that the validated model with the estimated parameters are applicable for all events. A modified unscented Kalman filter (UKF) is proposed to deal with the cases in which measurement of power angle is unavailable. The effectiveness of the proposed method is validated using field test data of a 2.6 MVA diesel generator in a real microgrid.

Wang, Zhiwen↗
DOE OSTI2021

Model correction and updating of a stochastic degradation model for failure prognostics of miter gates

Understanding the degradation of the quoin block is vital for failure prognostics in miter gates. Due to the complicated degradation mechanism, degradation models based on simplifications and assumptions cannot accurately describe the damage evolution. It is observed that small errors in a simplified degradation model can lead to a large discrepancy in the remaining useful life estimation attributed to error accumulation over time. Aiming to address this issue in failure prognostics, this paper presents a dynamic model correction framework for a simplified degradation model using strain measurements. In the proposed framework, a polynomial chaos expansion (PCE) model is employed to compensate the missing physics in a simplified stochastic degradation model. Here, a maximum likelihood estimation method is developed to estimate the uncertain parameters of the simplified physics-based degradation model along with the unknown PCE model parameters using strain measurements as the observables. The updated damage degradation model is then applied to failure prognostics of a miter gate. Results of a case study show that the proposed approach can effectively improve the accuracy of failure prognostics in miter gates.

42 ENGINEERING↗
DOE OSTI2013

Ergodicity of the generalized lemon billiards

In this paper, we study a two-parameter family of convex billiard tables, by taking the intersection of two round disks (with different radii) in the plane. These tables give a generalization of the one-parameter family of lemon-shaped billiards. Initially, there is only one ergodic table among all lemon tables. In our generalized family, we observe numerically the prevalence of ergodicity among the some perturbations of that table. Moreover, numerical estimates of the mixing rate of the billiard dynamics on some ergodic tables are also provided.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2024

Effect of causality constraints on Bayesian analyses of heavy-ion collisions

There have long been questions about the limits to the validity of relativistic fluid dynamics and whether it is being used outside its regime of validity in modern simulations of relativistic heavy-ion collisions. An important new tool for answering this question is a causality analysis in the nonlinear regime—if the solutions of the evolution equations do not respect relativistic causality, then they are not a faithful representation of the underlying relativistic theory (in this case, quantum chromodynamics). Using this nonlinear criterion, it has recently been shown that hydrodynamics is indeed being used outside its regime of validity in simulations, at least sometimes. Here we explore the phenomenological implications, particularly the quantitative effects of demanding limits on acausality in modern Bayesian parameter estimation. We find that, while typically only a small fraction of the system's energy is initially in an acausal regime, placing strict limits on the allowed energy fraction significantly changes the preferred properties of the initial condition, which in turn alters the extracted medium properties such as bulk viscosity, where large values are no longer favored. Furthermore, these findings highlight the importance of developing better theoretical descriptions of the early-time, out-of-equilibrium dynamics of relativistic heavy-ion collisions.

Bayesian methods↗
DOE OSTI2017

Prospects of Dynamical Determination of General Relativity Parameter β and Solar Quadrupole Moment J{sub 2⊙} with Asteroid Radar Astronomy

We evaluated the prospects of quantifying the parameterized post-Newtonian parameter β and solar quadrupole moment J{sub 2⊙} with observations of near-Earth asteroids with large orbital precession rates (9 to 27 arcsec century{sup −1}). We considered existing optical and radar astrometry, as well as radar astrometry that can realistically be obtained with the Arecibo planetary radar in the next five years. Our sensitivity calculations relied on a traditional covariance analysis and Monte Carlo simulations. We found that independent estimates of β and J{sub 2⊙} can be obtained with precisions of 6 × 10{sup −4} and 3 × 10{sup −8}, respectively. Because we assumed rather conservative observational uncertainties, as is the usual practice when reporting radar astrometry, it is likely that the actual precision will be closer to 2 × 10{sup −4} and 10{sup −8}, respectively. A purely dynamical determination of solar oblateness with asteroid radar astronomy may therefore rival the helioseismology determination.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2017

Inference of Transmission Network Structure from HIV Phylogenetic Trees

Phylogenetic inference is an attractive means to reconstruct transmission histories and epidemics. However, there is not a perfect correspondence between transmission history and virus phylogeny. Both node height and topological differences may occur, depending on the interaction between within-host evolutionary dynamics and between-host transmission patterns. To investigate these interactions, we added a within-host evolutionary model in epidemiological simulations and examined if the resulting phylogeny could recover different types of contact networks. To further improve realism, we also introduced patient-specific differences in infectivity across disease stages, and on the epidemic level we considered incomplete sampling and the age of the epidemic. Second, we implemented an inference method based on approximate Bayesian computation (ABC) to discriminate among three well-studied network models and jointly estimate both network parameters and key epidemiological quantities such as the infection rate. Our ABC framework used both topological and distance-based tree statistics for comparison between simulated and observed trees. Overall, our simulations showed that a virus time-scaled phylogeny (genealogy) may be substantially different from the between-host transmission tree. This has important implications for the interpretation of what a phylogeny reveals about the underlying epidemic contact network. In particular, we found that while the within-host evolutionary process obscures the transmission tree, the diversification process and infectivity dynamics also add discriminatory power to differentiate between different types of contact networks. We also found that the possibility to differentiate contact networks depends on how far an epidemic has progressed, where distance-based tree statistics have more power early in an epidemic. Finally, we applied our ABC inference on two different outbreaks from the Swedish HIV-1 epidemic.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2019

The utility of {sup 82}Rb PET for myocardial viability assessment: Comparison with perfusion-metabolism {sup 82}Rb-{sup 18}F-FDG PET

Background: {sup 82}Rb kinetics may distinguish scar from viable but dysfunctional (hibernating) myocardium. We sought to define the relationship between {sup 82}Rb kinetics and myocardial viability compared with conventional {sup 82}Rb and {sup 18}F-fluorodeoxyglucose (FDG) perfusion-metabolism PET imaging. Methods: Consecutive patients (N = 120) referred for evaluation of myocardial viability prior to revascularization and normal volunteers (N = 37) were reviewed. Dynamic {sup 82}Rb 3D PET data were acquired at rest. {sup 18}F-FDG 3D PET data were acquired after metabolic preparation using a standardized hyperinsulinemic-euglycemic clamp. {sup 82}Rb kinetic parameters K{sub 1}, k{sub 2}, and partition coefficient (KP) were estimated by compartmental modeling Results: Segmental {sup 82}Rb k{sub 2} and KP differed significantly between scarred and hibernating segments identified by Rb-FDG perfusion-metabolism (k{sub 2}, 0.42 ± 0.25 vs. 0.22 ± 0.09 min{sup −1}; P < .0001; KP, 1.33 ± 0.62 vs. 2.25 ± 0.98 ml/g; P < .0001). As compared to Rb-FDG analysis, segmental Rb KP had a c-index, sensitivity and specificity of 0.809, 76% and 84%, respectively, for distinguishing hibernating and scarred segments. Segmental k{sub 2} performed similarly, but with lower specificity (75%, P < .001) Conclusions: In this pilot study, {sup 82}Rb kinetic parameters k{sub 2} and KP, which are readily estimated using a compartmental model commonly used for myocardial blood flow, reliably differentiated hibernating myocardium and scar. Further study is necessary to evaluate their clinical utility for predicting benefit after revascularization. [French] French Abstract: Contexte: La cinétique du {sup 82}Rb pourrait être utilisée pour distinguer la fibrose myocardique des zones viables mais dysfonctionnelles (en hibernation). Dans cette étude, nous avons cherché à définir la relation entre la cinétique du {sup 82}Rb et la viabilité myocardique en comparant les images de perfusion et métabolisme myocardique utilisant le {sup 82}Rb et le {sup 18}F-fluorodésoxyglucose (FDG) Méthodes: les données obtenues chez 120 patients consécutifs (N = 120) référés pour évaluation de la viabilité du myocarde avant revascularisation et 37 volontaires considérés normaux (N = 37) ont été étudieés. Les données TEP 3D dynamiques {sup 82}Rb ont été acquises au repos. Les données TEP 3D au {sup 18}F-FDG ont été acquises après préparation métabolique utilisant une pince hyperinsulémique-euglycémique normalisée. Les paramètres k1, k2 et le coefficient de partage (KP) de la cinétique du {sup 82}R bont été évalues par modélisation compartimentale. Résultats: les paramètres k2 et KP de distribution du {sup 82}Rb se sont révélés significativement différent entre les zones tissulaires cicatricielles fibreuses et celles en hibernation identifiées par étude métabolique au FDG (k2, 0,42 ± 0,25 vs. 0,22 ± 0,09 min{sup −1}; P < 0,0001; KP, 1,33 ± 0,62 vs. 2,25 ± 0,98 ml/g; P < 0,0001). Par rapport aux données FDG, le paramètre KP du rubidium a révélé un indice de concordance de 0,809 et une sensibilité et spécificité de 76% et 84%, pour la distinction des segments en hibernation et cicatrisés. Les résultats du paramètre k2 se sont révélés similaires, mais avec une spécificité plus faible calculée à 75% (P < 0,001). Conclusions: Dans cette étude pilote, les paramètres cinétiques k2 et KP de perfusion myocardique au {sup 82}Rb, qui sont facilement estimés à l’aide d’un modèle compartimental couramment utilisé pour flux sanguin myocardique, ont permis de différencier de manière fiable le myocarde cicatricielle des zones myocardiques hibernantes. Une étude plus approfondie est souhaitable pour valider leur utilité clinique en revacularisation. [Spanish] Spanish Abstract: Antecedentes: La cinética con {sup 82}Rb puede distinguir las cicatrices miocárdicas del tejido viable pero disfuncional (hibernante). Buscamos definir la relación entre la cinética del {sup 82}Rb y la viabilidad miocárdica comparada con las imágenes convencionales de PET con {sup 82}Rb y {sup 18}F-flurodeoxyglucosa (FDG). Métodos: se evaluaron a Pacientes Consecutivos (N = 120) referidos para evaluación de viabilidad miocárdica previos a revascularización y voluntarios normales (N = 37). Los datos de PET 3D dinámico con {sup 82}Rb fueron adquiridos en reposo. Los datos de {sup 18}F-FDG 3D PET fueron adquiridos posterior a la preparación metabólica usando un clamp hiperinsulínico-euglucémico. Los patrones cinéticos K1, k2 y el coeficiente de partición (KP) fueron estimados por el modelo compartimental. Resultados: el k2 y KP del {sup 82}Rb permitueron distinguier el tejido cicatricial de los segmentos hibernados identificados por la vía perfusión metabolismo de Rb-FDG (k{sub 2}, 0.42 ± 0.25 vs. 0.22 ± 0.09 min-1; P < .0001; KP, 1.33 ± 0.62 vs. 2.25 ± 0.98 ml/g; P < .0001). En comparación con el análisis de Rb-FDG, el KP segmentario del Rb tuvo un índice-c, sensbilidad y especificidad de 0.809 76 y 84%, respectivamente, para distinguir segmentos hibernantes y cicatriciales. k2 Segmentario tuvo un desempeño similar pero con una menor especificidad (75%, P < .001). Conclusiones: En este estudio piloto, los parámetros cinéticos k2 y KP del {sup 82}Rb, los cuales son estimados usando un modelo compartimental usado comúnmente para flujo sanguíneo miocárdico, diferenciaron el miocardio hibernante del cicatricial. Se necesita estudiar más a fondo para evaluar la utilidad clínica para la predicción del beneficio posterior a la revascularización [Chinese] Chinese Abstract: 背景: 铷-82({sup 82}Rb)药代动力学可能区分梗死与功能受损但存活的心肌(冬眠心肌)。我们将探讨{sup 82}Rb药代动力学与存活心肌的关系,并与常规的{sup 82}Rb和{sup 18}F-氟脱氧葡萄糖(FDG)灌注-代谢PET显像进行比较。 方法: 连续纳入120名血运重建前评估存活心肌的患者和37名正常志愿者。获得静息{sup 82}Rb 3D-PET动态采集数据;采用标准化的高胰岛素 - 正葡萄糖钳夹试验得到{sup 18}F-FDG 3D PET代谢显像数据; 通过房室模型计算{sup 82}Rb动力学参数k{sub 1},k{sub 2}和分配系数(KP)。 结果: 以Rb-FDG灌注代谢显像鉴定疤痕心肌组和冬眠心肌组,两组的{sup 82}Rb节段性 k{sub 2}值和KP值有明显差异(k{sub 2}, 0.42 ± 0.25 vs 0.22 ± 0.09 min{sup −1}; P < .0001; KP, 1.33 ± 0.62 vs 2.25 ± 0.98 ml/g; P < .0001)。以Rb-FDG灌注代谢显像为诊断标准,{sup 82}Rb节段性 KP对疤痕和冬眠心肌鉴别效能的c指数,敏感性和特异性分别是0.809, 76%和84%。节段性k{sub 2}的鉴别效能与KP相似,但特异性较低(75%,P < .001)。 结论: 在本试验性研究中,通过常规用于{sup 82}Rb心肌血流量测定的房室模型计算出的{sup 82}Rb动力学参数k{sub 2}和KP,可以有效的区分冬眠心肌和瘢痕心肌。 但需要进一步的研究来评估其对预测血运重建是否获益的临床价值。.

62 RADIOLOGY AND NUCLEAR MEDICINE↗
DOE OSTI2017

Enhancement of frequency estimation by spatially correlated environments

In metrological tasks, employing entanglement can quantitatively improve the precision of parameter estimation. However, susceptibility of the entanglement to decoherence fades this capability in the realistic metrology and limits ultimate quantum improvement. One of the most destructive decoherence-type noise is uncorrelated Markovian noise which commutes with the parameter-encoding Hamiltonian and is modeled as a semigroup dynamics, for which the quantum improvement is constrained to a constant factor. It has been shown (Chin et al., 2012) that when the noisy time evolution is governed by a local and non-semigroup dynamics (e.g., induced by an uncorrelated non-Markovian dephasing), emerging the Zeno regime at short times can result in the Zeno scaling in the precision. Here, by considering the impact of the correlated noise in metrology, we show that spatially correlated environments which lead to a nonlocal and non-semigroup dynamics can improve the precision of a noisy frequency measurement beyond the Zeno scaling. In particular, it is demonstrated that one can find decoherence-free subspaces and subsequently achieve the Heisenberg precision scaling for an approximated dynamics induced by spatially correlated environments. - Highlights: • Here, the impact of correlated noise in metrology is studied. • We have focused on spatially correlated environments. • We show that such environments can result in precision beyond the Zeno scaling. • In particular, we find decoherence-free subspaces. • This leads to achieving the Heisenberg precision scaling.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2017

A generalized Ewald decomposition for screened Coulomb interactions

Medium-range interactions occur in a wide range of systems, including charged-particle systems with varying screening lengths. We generalize the Ewald method to charged systems described by interactions involving an arbitrary dielectric response function ϵ(𝐤). We provide an error estimate and optimize the generalization to find the break-even parameters that separate a neighbor list-only algorithm from the particle-particle particle-mesh algorithm. We examine the implications of different choices of the screening length for the computational cost of computing the dynamic structure factor. We then use our new method in molecular dynamics simulations to compute the dynamic structure factor for a model plasma system and examine the wave-dispersion properties of this system.

Dharuman, Gautham↗