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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 721 records · Page 40
All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

Leveraging graph clustering techniques for cyber‐physical system analysis to enhance disturbance characterisation

Abstract Cyber‐physical systems have behaviour that crosses domain boundaries during events such as planned operational changes and malicious disturbances. Traditionally, the cyber and physical systems are monitored separately and use very different toolsets and analysis paradigms. The security and privacy of these cyber‐physical systems requires improved understanding of the combined cyber‐physical system behaviour and methods for holistic analysis. Therefore, the authors propose leveraging clustering techniques on cyber‐physical data from smart grid systems to analyse differences and similarities in behaviour during cyber‐, physical‐, and cyber‐physical disturbances. Since clustering methods are commonly used in data science to examine statistical similarities in order to sort large datasets, these algorithms can assist in identifying useful relationships in cyber‐physical systems. Through this analysis, deeper insights can be shared with decision‐makers on what cyber and physical components are strongly or weakly linked, what cyber‐physical pathways are most traversed, and the criticality of certain cyber‐physical nodes or edges. This paper presents several types of clustering methods for cyber‐physical graphs of smart grid systems and their application in assessing different types of disturbances for informing cyber‐physical situational awareness. The collection of these clustering techniques provide a foundational basis for cyber‐physical graph interdependency analysis.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2022

Open-circuit submodule fault diagnosis in MMCs using support vector machines

Series connection of semiconductor submodules (SM) in a modular multilevel converter (MMC) makes the MMC prone to open-circuit (OC) IGBT failures inside SMs. If left undetected, these faults degrade the operation of the MMC and lead to its instability. This article proposes a method to detect, localise, and classify single OC SM faults in an MMC using support vector machines (SVM) trained with data obtained from the capacitor voltage balancing block of the MMC control system. The proposed method relies on data extracted from the sorted capacitor voltage arrays of the upper and lower phase arms. Therefore, it does not require extra measurements and hardware. Additionally, it offers a fixed time for detecting and localising OC SM faults. This method is easy to implement as SVM has a simple decision function. Time-domain simulation case studies are performed on a three-phase nine-level MMC to evaluate the performance of the proposed method.

42 ENGINEERING↗
DOE OSTI2020

Strong dependence of Type Ia supernova standardization on the local specific star formation rate

As part of an on-going effort to identify, understand and correct for astrophysics biases in the standardization of Type Ia supernovae (SN Ia) for cosmology, we have statistically classified a large sample of nearby SNe Ia into those that are located in predominantly younger or older environments. This classification is based on the specific star formation rate measured within a projected distance of 1 kpc from each SN location (LsSFR). This is an important refinement compared to using the local star formation rate directly, as it provides a normalization for relative numbers of available SN progenitors and is more robust against extinction by dust. We find that the SNe Ia in predominantly younger environments are Δ Y = 0.163 ± 0.029 mag (5.7 σ ) fainter than those in predominantly older environments after conventional light-curve standardization. This is the strongest standardized SN Ia brightness systematic connected to the host-galaxy environment measured to date. The well-established step in standardized brightnesses between SNe Ia in hosts with lower or higher total stellar masses is smaller, at Δ M = 0.119 ± 0.032 mag (4.5 σ ), for the same set of SNe Ia. When fit simultaneously, the environment-age offset remains very significant, with Δ Y = 0.129 ± 0.032 mag (4.0 σ ), while the global stellar mass step is reduced to Δ M = 0.064 ± 0.029 mag (2.2 σ ). Thus, approximately 70% of the variance from the stellar mass step is due to an underlying dependence on environment-based progenitor age. Also, we verify that using the local star formation rate alone is not as powerful as LsSFR at sorting SNe Ia into brighter and fainter subsets. Standardization that only uses the SNe Ia in younger environments reduces the total dispersion from 0.142 ± 0.008 mag to 0.120 ± 0.010 mag. Overall, we show that as environment-ages evolve with redshift, a strong bias, especially on the measurement of the derivative of the dark energy equation of state, can develop. Fortunately, data that measure and correct for this effect using our local specific star formation rate indicator, are likely to be available for many next-generation SN Ia cosmology experiments.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2025

Accelerating detector simulations with Celeritas: Profiling and performance optimizations

Celeritas is a GPU-optimized Monte Carlo (MC) particle transport code designed to meet the growing computational demands of next-generation high energy physics (HEP) experiments. It provides efficient simulation of electromagnetic (EM) physics processes in complex geometries with magnetic fields, detector hit scoring, and seamless integration into Geant4-driven applications to offload EM physics to GPUs. Recent efforts have focused on performance optimizations and expanding profiling capabilities. This paper presents some key advancements, including the integration of the Perfetto system profiling tool for detailed performance analysis and the development of track-sorting methods to improve computational efficiency.

Lund, Amanda [Argonne National Laboratory (ANL)]↗
DOE OSTI2013

A real-time algorithm for the harmonic estimation and frequency tracking of dominant components in fusion plasma magnetic diagnostics

The real-time tracking of instantaneous quantities such as frequency, amplitude, and phase of components immerse in noisy signals has been a common problem in many scientific and engineering fields such as power systems and delivery, telecommunications, and acoustics for the past decades. In magnetically confined fusion research, extracting this sort of information from magnetic signals can be of valuable assistance in, for instance, feedback control of detrimental magnetohydrodynamic modes and disruption avoidance mechanisms by monitoring instability growth or anticipating mode-locking events. This work is focused on nonlinear Kalman filter based methods for tackling this problem. Similar methods have already proven their merits and have been successfully employed in this scientific domain in applications such as amplitude demodulation for the motional Stark effect diagnostic. In the course of this work, three approaches are described, compared, and discussed using magnetic signals from the Joint European Torus tokamak plasma discharges for benchmarking purposes.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2013

A first look at Weyl anomalies in shape dynamics

One of the more popular objections towards shape dynamics is the suspicion that anomalies in the spatial Weyl symmetry will arise upon quantization. The purpose of this short paper is to establish the tools required for an investigation of the sort of anomalies that can possibly arise. The first step is to adapt to our setting Barnich and Henneaux's formulation of gauge cohomology in the Hamiltonian setting, which serve to decompose the anomaly into a spatial component and time component. The spatial part of the anomaly, i.e., the anomaly in the symmetry algebra itself ([Ω, Ω] ∝ ℏ instead of vanishing) is given by a projection of the second ghost cohomology of the Hamiltonian BRST differential associated to Ω, modulo spatial derivatives. The temporal part, [Ω, H] ∝ ℏ is given by a different projection of the first ghost cohomology and an extra piece arising from a solution to a functional differential equation. Assuming locality of the gauge cohomology groups involved, this part is always local. Assuming locality for the gauge cohomology groups, using Barnich and Henneaux's results, the classification of Weyl cohomology for higher ghost numbers performed by Boulanger, and following the descent equations, we find a complete characterizations of anomalies in 3+1 dimensions. The spatial part of the anomaly and the first component of the temporal anomaly are always local given these assumptions even in shape dynamics. The part emerging from the solution of the functional differential equations explicitly involves the shape dynamics Hamiltonian, and thus might be non-local. If one restricts this extra piece of the temporal anomaly to be also local, then overall no Weyl anomalies, either temporal or spatial, emerge in the 3+1 case.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2013

DC response of hot carriers under circularly polarized intense microwave fields and intense magnetic fields in quantum wells

Hot carrier dynamics under intense microwave and crossed magnetic fields are investigated theoretically for the case that the dominant scattering process is inelastic collision, especially intersubband and intrasubband transition in Quantum wells. If the applied electric fields are circularly polarized, the equation of motion forms symmetric on the x-y plane. But the carrier motions are complicated to accumulate because of acceleration and emission process. This situation makes possible to create a variation of the carrier motion, typically the carrier bunching is occurred. This state is a sort of population inversion. The DC response of this system attains strongly negative at appropriate field conditions. Through the simulation for the real case described below, it may include a type of induced emission.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2013

Acquisition of material properties in production for sheet metal forming processes

In past work a measurement system for the in-line acquisition of material properties was developed at IVP. This system is based on the non-destructive eddy-current principle. Using this system, a 100% control of material properties of the processed material is possible. The system can be used for ferromagnetic materials like standard steels as well as paramagnetic materials like Aluminum and stainless steel. Used as an in-line measurement system, it can be configured as a stand-alone system to control material properties and sort out inapplicable material or as part of a control system of the forming process. In both cases, the acquired data can be used as input data for numerical simulations, e.g. stochastic simulations based on real world data.

36 MATERIALS SCIENCE↗
DOE OSTI2013

Magneto-optical spectrum and the effective excitonic Zeeman splitting energies of Mn and Co-doped CdSe nanowires

The electronic structure of Mn and Co-doped CdSe nanowires are calculated based on the six-band k·p effective-mass theory. Through the calculation, it is found that the splitting energies of the degenerate hole states in Mn-doped CdSe nanowires are larger than that in Co-doped CdSe nanowires when the concentration of these two kinds of magnetic ions is the same. In order to analysis the magneto-optical spectrum of Mn and Co-doped CdSe nanowires, the four lowest electron states and the four highest hole states are sorted when the magnetic field is applied, and the 10 lowest optical transitions between the conduction subbands and the valence subbands at the Γ point in Mn and Co-doped CdSe nanowires are shown in the paper, it is found that the order of the optical transitions at the Γ point almost do not change although two different kinds of magnetic ions are doped in CdSe nanowires. Finally, the effective excitonic Zeeman splitting energies at the Γ point are found to increase almost linearly with the increase of the concentration of the magnetic ions and the magnetic field; meanwhile, the giant positive effective excitonic g factors in Mn and Co-doped CdSe nanowires are predicted based on our theoretical calculation.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2014

Peptide dynamics by molecular dynamics simulation and diffusion theory method with improved basis sets

Improved basis sets for the study of polymer dynamics by means of the diffusion theory, and tests on a melt of cis-1,4-polyisoprene decamers, and a toluene solution of a 71-mer syndiotactic trans-1,2-polypentadiene were presented recently [R. Gaspari and A. Rapallo, J. Chem. Phys. 128, 244109 (2008)]. The proposed hybrid basis approach (HBA) combined two techniques, the long time sorting procedure and the maximum correlation approximation. The HBA takes advantage of the strength of these two techniques, and its basis sets proved to be very effective and computationally convenient in describing both local and global dynamics in cases of flexible synthetic polymers where the repeating unit is a unique type of monomer. The question then arises if the same efficacy continues when the HBA is applied to polymers of different monomers, variable local stiffness along the chain and with longer persistence length, which have different local and global dynamical properties against the above-mentioned systems. Important examples of this kind of molecular chains are the proteins, so that a fragment of the protein transthyretin is chosen as the system of the present study. This peptide corresponds to a sequence that is structured in β-sheets of the protein and is located on the surface of the channel with thyroxin. The protein transthyretin forms amyloid fibrils in vivo, whereas the peptide fragment has been shown [C. P. Jaroniec, C. E. MacPhee, N. S. Astrof, C. M. Dobson, and R. G. Griffin, Proc. Natl. Acad. Sci. U.S.A. 99, 16748 (2002)] to form amyloid fibrils in vitro in extended β-sheet conformations. For these reasons the latter is given considerable attention in the literature and studied also as an isolated fragment in water solution where both experimental and theoretical efforts have indicated the propensity of the system to form β turns or α helices, but is otherwise predominantly unstructured. Differing from previous computational studies that employed implicit solvent, we performed in this work the classical molecular dynamics simulation on a realistic model solution with the peptide embedded in an explicit water environment, and calculated its dynamic properties both as an outcome of the simulations, and by the diffusion theory in reduced statistical-mechanical approach within HBA on the premise that the mode-coupling approach to the diffusion theory can give both the long-range and local dynamics starting from equilibrium averages which were obtained from detailed atomistic simulations.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2014

Backscattering and absorption coefficients for electrons: Solutions of invariant embedding transport equations using a method of convergence

The backscattering coefficient is a magnitude whose measurement is fundamental for the characterization of materials with techniques that make use of particle beams and particularly when performing microanalysis. In this work, we report the results of an analytic method to calculate the backscattering and absorption coefficients of electrons in similar conditions to those of electron probe microanalysis. Starting on a five level states ladder model in 3D, we deduced a set of integro-differential coupled equations of the coefficients with a method know as invariant embedding. By means of a procedure proposed by authors, called method of convergence, two types of approximate solutions for the set of equations, namely complete and simple solutions, can be obtained. Although the simple solutions were initially proposed as auxiliary forms to solve higher rank equations, they turned out to be also useful for the estimation of the aforementioned coefficients. In previous reports, we have presented results obtained with the complete solutions. In this paper, we present results obtained with the simple solutions of the coefficients, which exhibit a good degree of fit with the experimental data. Both the model and the calculation method presented here can be generalized to other techniques that make use of different sorts of particle beams.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2014

The strategic offense initiative? The Soviets and Star Wars

Historians of the Cold War have paid too little attention to Soviet fears of 'space-strike weapons' - that is, possible offensive uses of President Ronald Reagan's Strategic Defense Initiative. In fifteen years or so, soldiers will no longer shoot rifles but will use some kind of lightning, some sort of a machine emitting a holocaustal electrical beam. Tell me, what can we invent in this line so as to surprise our neighbors?... Alas, we are only capable of imitating and purchasing weapons from others, and we do well if we manage to repair them ourselves. --Fyodor Dostoevsky, A Writer's Diary, 1873. [Khlinov, a physicist]: 'I know that he has made an important discovery concerning the transmission of infra-red rays over a distance.... Heat waves at a temperature of a thousand degrees centigrade transmitted parallel to each other constitute a monstrous weapon of destruction and defense in time of war. The whole secret lies in the transmission of a ray that does not disperse. So far nobody has been able to do this. Judging by your story, Garin has constructed a machine that will do it. If so it is an extremely important discovery.' 'I've been thinking for a long time that this invention smells of higher politics,' said Shelga. --Aleksei Tolstoy, The Garin Death Ray, 1927 (translated by George Hanna)

98 NUCLEAR DISARMAMENT, SAFEGUARDS, AND PHYSICAL P↗
DOE OSTI2014

Neutron stars as laboratories for gravity physics

We study the structure of neutron stars in R+αR² gravity model with perturbative method. We obtain mass-radius relations for four representative equations of state (EoS). We find that, for |α|~10⁹ cm², the results differ substantially from the results of general relativity. The effects of modified gravity are seen as mimicking a stiff or soft EoS for neutron stars depending upon whether α is negative or positive, respectively. Some of the soft EoS that are excluded within the framework of general relativity can be reconciled for certain values of α of this order with the 2 solar mass neutron star recently observed. Indeed, if the EoS is ever established to be soft, modified gravity of the sort studied here may be required to explain neutron star masses as large as 2 M{sub ⊙}. The associated length scale √(α)~10⁵ cm is of the order of the the typical radius of neutron stars implying that this is the smallest value we could find by using neutron stars as a probe. We thus conclude that the true value of α is most likely much smaller than 10⁹ cm².

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2014

Atom interferometry in space: Thermal management and magnetic shielding

Atom interferometry is an exciting tool to probe fundamental physics. It is considered especially apt to test the universality of free fall by using two different sorts of atoms. The increasing sensitivity required for this kind of experiment sets severe requirements on its environments, instrument control, and systematic effects. This can partially be mitigated by going to space as was proposed, for example, in the Spacetime Explorer and Quantum Equivalence Principle Space Test (STE-QUEST) mission. However, the requirements on the instrument are still very challenging. For example, the specifications of the STE-QUEST mission imply that the Feshbach coils of the atom interferometer are allowed to change their radius only by about 260 nm or 2.6 × 10{sup −4} % due to thermal expansion although they consume an average power of 22 W. Also Earth's magnetic field has to be suppressed by a factor of 10{sup 5}. We show in this article that with the right design such thermal and magnetic requirements can indeed be met and that these are not an impediment for the exciting physics possible with atom interferometers in space.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2014

Comparison of twin-fluid atomizers using a phase Doppler analyser

The quality of atomization is crucial in combustion processes, especially in cases of highly viscous fuels. Twin-fluid atomizers have been developed for atomizing heavy and waste fuels and they have undergone significant development in the last decades. Nevertheless, in order to design an atomizer for a given industrial application, a comparison of different atomizers at similar operating conditions is required. This paper focuses on the description and comparison of two internally mixed twin-fluid atomizers at the same operating regime. The Y-jet and the Inverse-effervescent atomizers were examined. The phase-Doppler analyzer was used to measure the velocity and size of droplets in a radial profile in the spray. Data were sorted out into classes with respect to the droplet size and the motion analysis was done for both atomizers.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2014

Lazy Updating of hubs can enable more realistic models by speeding up stochastic simulations

To respect the nature of discrete parts in a system, stochastic simulation algorithms (SSAs) must update for each action (i) all part counts and (ii) each action's probability of occurring next and its timing. This makes it expensive to simulate biological networks with well-connected “hubs” such as ATP that affect many actions. Temperature and volume also affect many actions and may be changed significantly in small steps by the network itself during fever and cell growth, respectively. Such trends matter for evolutionary questions, as cell volume determines doubling times and fever may affect survival, both key traits for biological evolution. Yet simulations often ignore such trends and assume constant environments to avoid many costly probability updates. Such computational convenience precludes analyses of important aspects of evolution. Here we present “Lazy Updating,” an add-on for SSAs designed to reduce the cost of simulating hubs. When a hub changes, Lazy Updating postpones all probability updates for reactions depending on this hub, until a threshold is crossed. Speedup is substantial if most computing time is spent on such updates. We implemented Lazy Updating for the Sorting Direct Method and it is easily integrated into other SSAs such as Gillespie's Direct Method or the Next Reaction Method. Testing on several toy models and a cellular metabolism model showed >10× faster simulations for its use-cases—with a small loss of accuracy. Thus we see Lazy Updating as a valuable tool for some special but important simulation problems that are difficult to address efficiently otherwise.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2014

Phosphorescence lifetimes of organic light-emitting diodes from two-component time-dependent density functional theory

“Spin-forbidden” transitions are calculated for an eight-membered set of iridium-containing candidate molecules for organic light-emitting diodes (OLEDs) using two-component time-dependent density functional theory. Phosphorescence lifetimes (obtained from averaging over relevant excitations) are compared to experimental data. Assessment of parameters like non-distorted and distorted geometric structures, density functionals, relativistic Hamiltonians, and basis sets was done by a thorough study for Ir(ppy){sub 3} focussing not only on averaged phosphorescence lifetimes, but also on the agreement of the triplet substate structure with experimental data. The most favorable methods were applied to an eight-membered test set of OLED candidate molecules; Boltzmann-averaged phosphorescence lifetimes were investigated concerning the convergence with the number of excited states and the changes when including solvent effects. Finally, a simple model for sorting out molecules with long averaged phosphorescence lifetimes is developed by visual inspection of computationally easily achievable one-component frontier orbitals.

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

The ab-initio density matrix renormalization group in practice

The ab-initio density matrix renormalization group (DMRG) is a tool that can be applied to a wide variety of interesting problems in quantum chemistry. Here, we examine the density matrix renormalization group from the vantage point of the quantum chemistry user. What kinds of problems is the DMRG well-suited to? What are the largest systems that can be treated at practical cost? What sort of accuracies can be obtained, and how do we reason about the computational difficulty in different molecules? By examining a diverse benchmark set of molecules: π-electron systems, benchmark main-group and transition metal dimers, and the Mn-oxo-salen and Fe-porphine organometallic compounds, we provide some answers to these questions, and show how the density matrix renormalization group is used in practice.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗