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At least 397 records · Page 22

Complex Correlation Kohn-T Method of Calculating Total and Elastic Cross Sections: Electron-Hydrogen Elastic Scattering - Part 1

We report on the first part of a study of electron-hydrogen scattering, using a method which allows for the ab initio calculation of total and elastic cross sections at higher energies. In its general form the method uses complex 'radial' correlation functions, in a (Kohn) T-matrix formalism. The titled method, abbreviated Complex Correlation Kohn T (CCKT) method, is reviewed, in the context of electron-hydrogen scattering, including the derivation of the equation for the (complex) scattering function, and the extraction of the scattering information from the latter. The calculation reported here is restricted to S-waves in the elastic region, where the correlation functions can be taken, without loss of generality, to be real. Phase shifts are calculated using Hylleraas-type correlation functions with up to 95 terms. Results are rigorous lower bounds; they are in general agreement with those of Schwartz, but they are more accurate and outside his error bounds at a couple of energies,

Bhatia, A. K.↗

Fast interactive real-time volume rendering of real-time three-dimensional echocardiography: an implementation for low-end computers

Real-time three-dimensional echocardiography (RT3DE) is an innovative cardiac imaging modality. However, partly due to lack of user-friendly software, RT3DE has not been widely accepted as a clinical tool. The object of this study was to develop and implement a fast and interactive volume renderer of RT3DE datasets designed for a clinical environment where speed and simplicity are not secondary to accuracy. Thirty-six patients (20 regurgitation, 8 normal, 8 cardiomyopathy) were imaged using RT3DE. Using our newly developed software, all 3D data sets were rendered in real-time throughout the cardiac cycle and assessment of cardiac function and pathology was performed for each case. The real-time interactive volume visualization system is user friendly and instantly provides consistent and reliable 3D images without expensive workstations or dedicated hardware. We believe that this novel tool can be used clinically for dynamic visualization of cardiac anatomy.

NASA Discipline Cardiopulmonary↗

An IEEE 1451.1 Architecture for ISHM Applications

The IEEE 1451.1 Standard for a Smart Transducer Interface defines a common network information model for connecting and managing smart elements in control and data acquisition networks using network-capable application processors (NCAPs). The Standard is a network-neutral design model that is easily ported across operating systems and physical networks for implementing complex acquisition and control applications by simply plugging in the appropriate network level drivers. To simplify configuration and tracking of transducer and actuator details, the family of 1451 standards defines a Transducer Electronic Data Sheet (TEDS) that is associated with each physical element. The TEDS contains all of the pertinent information about the physical operations of a transducer (such as operating regions, calibration tables, and manufacturer information), which the NCAP uses to configure the system to support a specific transducer. The Integrated Systems Health Management (ISHM) group at NASA's John C. Stennis Space Center (SSC) has been developing an ISHM architecture that utilizes IEEE 1451.1 as the primary configuration and data acquisition mechanism for managing and collecting information from a network of distributed intelligent sensing elements. This work has involved collaboration with other NASA centers, universities and aerospace industries to develop IEEE 1451.1 compliant sensors and interfaces tailored to support health assessment of complex systems. This paper and presentation describe the development and implementation of an interface for the configuration, management and communication of data, information and knowledge generated by a distributed system of IEEE 1451.1 intelligent elements monitoring a rocket engine test system. In this context, an intelligent element is defined as one incorporating support for the IEEE 1451.x standards and additional ISHM functions. Our implementation supports real-time collection of both measurement data (raw ADC counts and converted engineering units) and health statistics produced by each intelligent element. The handling of configuration, calibration and health information is automated by using the TEDS in combination with other electronic data sheets extensions to convey health parameters. By integrating the IEEE 1451.1 Standard for a Smart Transducer Interface with ISHM technologies, each element within a complex system becomes a highly flexible computation engine capable of self-validation and performing other measures of the quality of information it is producing.

Morris, Jon A.↗

Control approach for power modulation of end-use loads

Methods, apparatus, and systems are disclosed herein for power modulation control of power grids using end-use loads. At the beginning of a coordination period typically lasting a few minutes, a population of end-use loads (water heaters, air conditioners, plug-in electric vehicles, etc.) is interrogated for their willingness to participate in power modulation by undergoing state transitions from on to off, or off to on. Distribution system flexibilities are calculated from the sums of device powers within distribution systems. Area flexibilities are calculated from the sums of device powers within areas. Thresholds for various devices to change state in response to inter-area oscillation damping or frequency regulation are derived from these flexibilities. Two power functions are monitored in real-time and compared with the device thresholds to trigger state changes which then remain locked throughout the remainder of the coordination period, then the devices are released from the lockout state.

Lian, Jianming↗

Adapting Grid Criticality for Data Centers

This presentation explores the evolving definition of “critical load” in the electric grid, emphasizing the growing importance of digital infrastructure—particularly data centers—in grid resilience, restoration, and modernization. As utilities increasingly rely on AI-driven analytics and software-defined control systems, data centers have shifted from passive electricity consumers to essential computational hubs that enable National Critical Functions (NCFs) and support real-time grid operations. The deck examines the scale and impact of digital loads, the need for grid modernization to manage rapid load growth, and the diverse computing paradigms required for AI deployment. It introduces a tiered taxonomy for classifying critical loads, highlights operational dependencies between the grid and digital infrastructure, and discusses policy implications for integrating data centers into emergency planning and restoration protocols. Through case studies and practical frameworks, the presentation provides actionable insights for utilities, regulators, and planners navigating the digital transformation of the power sector.

29 - ENERGY PLANNING, POLICY AND ECONOMY↗

Tests of Seiberg-like dualities in three dimensions

We use localization techniques to study several duality proposals for supersymmetric gauge theories in three dimensions reminiscent of Seiberg duality. We compare the partition functions of dual theories deformed by real mass terms and FI parameters. We find that Seiberg-like duality for N = 3 Chern-Simons gauge theories proposed by Giveon and Kutasov holds on the level of partition functions and is closely related to level-rank duality in pure Chern-Simons theory. We also clarify the relationship between the Giveon-Kutasov duality and a duality in theories of fractional M2 branes and propose a generalization of the latter. Our analysis also confirms previously known results concerning decoupled free sectors in N = 4 gauge theories realized by monopole operators.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Derivation of phase statistics from the Mueller matrix

Experimental observations show a strong dependence of phase differences of scattering matrix elements on the physical parameters of random media. Here, the statistical behavior of the phase differences is studied for distributed targets. The pdfs of the phase differences are derived from the Mueller matrix of the target. In deriving the density functions, it is assumed that the real and imaginary parts of the copolarized and cross-polarized terms of the scattering matrix are jointly Gaussian and their covariance matrices are found in terms of the Mueller matrix elements. The functional forms of the copolarized and cross-polarized density functions are similar and are obtained independently. It is shown that the density function of the phase difference is completely determined in terms of only two parameters.

Sarabandi, K.↗

Efficient exact exchange using Wannier functions and other related developments in planewave-pseudopotential implementation of RT-TDDFT

The plane-wave pseudopotential (PW-PP) formalism is widely used for the first-principles electronic structure calculation of extended periodic systems. The PW-PP approach has also been adapted for real-time time-dependent density functional theory (RT-TDDFT) to investigate time-dependent electronic dynamical phenomena. In this work, we detail recent advances in the PW-PP formalism for RT-TDDFT, particularly how maximally localized Wannier functions (MLWFs) are used to accelerate simulations using the exact exchange. We also discuss several related developments, including an anti-Hermitian correction for the time-dependent MLWFs (TD-MLWFs) when a time-dependent electric field is applied, the refinement procedure for TD-MLWFs, comparison of the velocity and length gauge approaches for applying an electric field, and elimination of long-range electrostatic interaction, as well as usage of a complex absorbing potential for modeling isolated systems when using the PW-PP formalism.

Chemistry↗

Electronically induced defect creation at semiconductor/oxide interface revealed by time-dependent density functional theory

Carrier induced defect creation at the semiconductor-oxide interface has been known as the origin of electronic device degradation for a long time, but how exactly the interface lattice can be damaged by carriers (especially low-energy ones) remains unclear. Here we carry out real-time time-dependent density functional theory simulations on concrete Si/SiO 2 interfaces to study the interaction between excited electrons and interface bonds. We show that the normal interface Si-H bonds are generally resistant to electrons due to the delocalized nature and high energy level of the Si-H antibonding states, and due to the high-energy barrier to break the Si-H bond. However, if an additional hydrogen atom exists by attaching to a nearby oxygen atom (forming a “Si-H···H-O” complex), the Si-H bond will be greatly weakened, including the reduction of energy barrier for bond breaking, and the lowering of the antibonding state energy level which favors electron injection. Together with the multiple vibrational excitation process, the corresponding Si-H bond can be broken much more easily. Thus we propose that the Si-H···H-O complex will be the center for defect creation and device degradation. Finally, we also explain why such a center might be relatively easy to form during the hydrogen annealing process.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

The role of the host in a cooperating mainframe and workstation environment, volumes 1 and 2

In recent years, advancements made in computer systems have prompted a move from centralized computing based on timesharing a large mainframe computer to distributed computing based on a connected set of engineering workstations. A major factor in this advancement is the increased performance and lower cost of engineering workstations. The shift to distributed computing from centralized computing has led to challenges associated with the residency of application programs within the system. In a combined system of multiple engineering workstations attached to a mainframe host, the question arises as to how does a system designer assign applications between the larger mainframe host and the smaller, yet powerful, workstation. The concepts related to real time data processing are analyzed and systems are displayed which use a host mainframe and a number of engineering workstations interconnected by a local area network. In most cases, distributed systems can be classified as having a single function or multiple functions and as executing programs in real time or nonreal time. In a system of multiple computers, the degree of autonomy of the computers is important; a system with one master control computer generally differs in reliability, performance, and complexity from a system in which all computers share the control. This research is concerned with generating general criteria principles for software residency decisions (host or workstation) for a diverse yet coupled group of users (the clustered workstations) which may need the use of a shared resource (the mainframe) to perform their functions.

Kusmanoff, Antone↗

Chemical and steric effects in simulating noncontact atomic force microscopy images of organic molecules on a Cu (111) substrate

Noncontact mode of atomic force microscopy (nc-AFM) employing a CO-functionalized tip is a very powerful tool for studying molecular structures. However, interpreting nc-AFM images for nonplanar molecules can sometimes be problematic. To illustrate and resolve the nature of such problematic systems, we employ real-space pseudopotentials constructed within density functional theory to simulate nc-AFM images. In this work, we focus on several representative nonplanar organic molecules (pentacene, naphthanthrone, olympicene, and 6-phenylhexa-1,3,5-triynybenzene (PHTB)) on a typical substrate: the Cu (111) surface. This substrate results in significant distortions in the molecular geometries of pentacene and naphthanthrone. Including these distortions in simulated nc-AFM imaging notably improves the agreement between the simulated and measured images. In naphthanthrone, the relatively large interaction between the O atom and the Cu substrate offers a straightforward explanation for the absence of the C = O bond in the measured image. Nonplanar features such as tilting or twisting are also apparent in olympicene and PHTB. A “triangular” bright feature associated with the –CH 2 group in olympicene appears in simulated and measured nc-AFM images. This feature is directly related to the tilting angle of the molecule with respect to the Cu substrate. The “defective” benzene ring feature and the faint ellipsoidal C ≡ C feature in PHTB can be ascribed to its twisted nature. The ability to simulate such subatomic images in nc-AFM reflects the accuracy and efficiency of calculating quantum forces in real space.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

SUbsonic Single Aft eNgine (SUSAN) Power/Propulsion System Hardware-in-the-Loop Test Results

Electrified Aircraft Propulsion (EAP) technology offers a promising path forward for reducing greenhouse gas emissions and other negative environmental effects from the commercial aviation sector. EAP systems can reduce fuel burn and improve performance over state-of the-art designs, however the increased complexity and highly coupled nature of these systems present challenges that require new control approaches. The SUbsonic Single Aft eNgine (SUSAN) Electrofan is a concept aircraft developed by NASA as a reference design for a commercial transport aircraft with a highly integrated hybrid-electric powertrain. This paper summarizes the results of a Hardware-in-the-Loop (HIL) test of a control architecture developed for the SUSAN power/propulsion system (PPS). The test was performed in the Hybrid Propulsion Emulation Rig (HyPER) facility at the NASA Glenn Research Center (GRC) and involved a real-time reference model of the SUSAN PPS and control system running with a sub-scale electro-mechanical system replacing one of the PPS subsystems. A side-by-side comparison of the simulated and real systems in the HIL test results shows that the control architecture functions well in both the simulation and the real-time HIL environment. In both cases the controller is able to simultaneously deliver the required thrust response and balance power levels between the electrical and turbomachinery subsystems.

Jonah J Sachs-Wetstone↗

SUbsonic Single Aft eNgine (SUSAN) Power/Propulsion System Hardware-in-the-Loop Test Results

Electrified Aircraft Propulsion (EAP) technology offers a promising path forward for reducing greenhouse gas emissions and other negative environmental effects from the commercial aviation sector. EAP systems can reduce fuel burn and improve performance over state-of the-art designs, however the increased complexity and highly coupled nature of these systems present challenges that require new control approaches. The SUbsonic Single Aft eNgine (SUSAN) Electrofan is a concept aircraft developed by NASA as a reference design for a commercial transport aircraft with a highly integrated hybrid-electric powertrain. This paper summarizes the results of a Hardware-in-the-Loop (HIL) test of a control architecture developed for the SUSAN power/propulsion system (PPS). The test was performed in the Hybrid Propulsion Emulation Rig (HyPER) facility at the NASA Glenn Research Center (GRC) and involved a real-time reference model of the SUSAN PPS and control system running with a sub-scale electro-mechanical system replacing one of the PPS subsystems. A side-by-side comparison of the simulated and real systems in the HIL test results shows that the control architecture functions well in both the simulation and the real-time HIL environment. In both cases the controller is able to simultaneously deliver the required thrust response and balance power levels between the electrical and turbomachinery subsystems.

EAP↗

Importance of mitral valve repair associated with left ventricular reconstruction for patients with ischemic cardiomyopathy: a real-time three-dimensional echocardiographic study

BACKGROUND: Left ventricular (LV) reconstruction surgery leads to early improvement in LV function in ischemic cardiomyopathy (ICM) patients. This study was designed to evaluate the impact of mitral valve (MV) repair associated with LV reconstruction on LV function 1-year after surgery in ICM patients assessed by real-time 3-dimensional echocardiography (3DE). METHODS AND RESULTS: Sixty ICM patients who underwent the combination surgery (LV reconstruction in 60, MV repair in 30, and revascularization in 52 patients) were studied. Real-time 3DE was performed and LV volumes were obtained at baseline, discharge, 6-month and >or=12-month follow-up. Reduction in end-diastolic volumes (EDV) by 29% and in end-systolic volumes by 38% were demonstrated immediately after surgery and remained at subsequent follow-up (P<0.0001). The LV ejection fraction significantly increased by about 10% at discharge and was maintained >or=12-month (P<0.0001). Although the LV volumes were significantly larger in patients with MV repair before surgery (EDV, 235+/-87 mL versus 193+/-67 mL, P<0.05), they were similar to LV volumes of the patients without MV repair at subsequent follow-ups. However, the EDV increased from 139+/-24 mL to 227+/-79 mL (P<0.01) in 7 patients with recurrent mitral regurgitation (MR). Improvement in New York Heart Association functional class occurred in 81% patients during late follow-up. CONCLUSIONS: Real-time 3DE demonstrates that LV reconstruction provides significant reduction in LV volumes and improvement in LV function which is sustained throughout the 1-year follow-up with 84% cardiac event free survival. If successful, MV repair may prevent LV redilation, while recurrent MR is associated with increased LV volumes.

Clinical Trial↗

Solving disorder in (3D) real space: a comparative study of the three-dimensional difference pair distribution function and atomic resolution holography reconstructions

The quantitative analysis of local ordering principles in disordered crystalline systems has gained much attention over the past few years, as it is often considered crucial for optimizing material functionality. This development has been driven by significant advancements in computational and experimental methods, which have led to the establishment and widespread use of various analytical techniques. In this study, we perform model calculations to compare the effectiveness of atomic resolution holography and three-dimensional difference pair distribution function analysis (3D-ΔPDF). Using Cu 3 Au as a model system, we demonstrate an approach to derive local order parameters quantitatively and show that both techniques are well suited to quantifying chemical short-range order correlations and local bond-distance variations. By evaluating the strengths and limitations of both techniques, we advocate for their combined use to solve complex short-range order problems accurately.

3D-ΔPDF↗

A Review of Spectral Methods for Variable Amplitude Fatigue Prediction and New Results

A comprehensive review of the available methods for estimating fatigue damage from variable amplitude loading is presented. The dependence of fatigue damage accumulation on power spectral density (psd) is investigated for random processes relevant to real structures such as in offshore or aerospace applications. Beginning with the Rayleigh (or narrow band) approximation, attempts at improved approximations or corrections to the Rayleigh approximation are examined by comparison to rainflow analysis of time histories simulated from psd functions representative of simple theoretical and real world applications. Spectral methods investigated include corrections by Wirsching and Light, Ortiz and Chen, the Dirlik formula, and the Single-Moment method, among other more recent proposed methods. Good agreement is obtained between the spectral methods and the time-domain rainflow identification for most cases, with some limitations. Guidelines are given for using the several spectral methods to increase confidence in the damage estimate.

Larsen, Curtis E.↗

Homomorphic data compression for real time photon correlation analysis

The construction of highly coherent X-ray sources, combined with next-generation detectors that are larger and faster, has enabled new research opportunities across the scientific landscape. Among the techniques that benefit most from these advancements is X-ray photon correlation spectroscopy (XPCS), where faster acquisition unlocks the ability to study faster dynamics within samples. However, faster acquisition on larger detectors also introduces unprecedented challenges for online data processing and offline data storage. Such challenges are particularly prominent for XPCS, where real time analyses require simultaneous calculation of all the previously acquired data in the time series. We present a homomorphic compression scheme to effectively reduce the computational time and memory space required for XPCS analysis. Leveraging similarities in the mathematical expression between a matrix-based compression algorithm and the correlation calculation, our approach allows direct operation on the compressed data without their decompression. The offline compression scheme extends storage capacity by a factor of 40 while preserving key features in the lossy compressed data. Meanwhile, the online compression scheme reduces the computational time to below 1 ms, enabling real time calculation of the correlation functions at kHz framerate. Our demonstration of a homomorphic compression of scientific data provides an effective solution to the big data challenge at coherent light sources. Beyond the example shown in this work, the framework can be extended to facilitate real-time operations directly on a compressed data stream for other techniques.

36 MATERIALS SCIENCE↗