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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 523 records · Page 29
All sourcesNASA NTRSDOE OSTI
DOE OSTI2017

Topology of Large-scale Structures of Galaxies in Two Dimensions—Systematic Effects

We study the two-dimensional topology of galactic distribution when projected onto two-dimensional spherical shells. Using the latest Horizon Run 4 simulation data, we construct the genus of the two-dimensional field and consider how this statistic is affected by late-time nonlinear effects—principally gravitational collapse and redshift space distortion (RSD). We also consider systematic and numerical artifacts, such as shot noise, galaxy bias, and finite pixel effects. We model the systematics using a Hermite polynomial expansion and perform a comprehensive analysis of known effects on the two-dimensional genus, with a view toward using the statistic for cosmological parameter estimation. We find that the finite pixel effect is dominated by an amplitude drop and can be made less than 1% by adopting pixels smaller than 1/3 of the angular smoothing length. Nonlinear gravitational evolution introduces time-dependent coefficients of the zeroth, first, and second Hermite polynomials, but the genus amplitude changes by less than 1% between z = 1 and z = 0 for smoothing scales R{sub G}>9 Mpc/h. Non-zero terms are measured up to third order in the Hermite polynomial expansion when studying RSD. Differences in the shapes of the genus curves in real and redshift space are small when we adopt thick redshift shells, but the amplitude change remains a significant ∼O(10%) effect. The combined effects of galaxy biasing and shot noise produce systematic effects up to the second Hermite polynomial. It is shown that, when sampling, the use of galaxy mass cuts significantly reduces the effect of shot noise relative to random sampling.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2023

X-Ray Scattering Data Processing and Analysis

Semicrystalline polymers have a degree of crystallinity that depends on chain structure and crystallization conditions. Thermomechanical properties are influenced by the degree of crystallinity and crystalline morphology. A common method used to understand crystalline content, crystal and amorphous layer thickness, and layer thickness distributions, is X-ray scattering (XS). This report uses XS to first investigate crystalline orientation in high density polyethylene (HDPE) samples. Then, a single orientation is analyzed via XS in a temperature study to investigate crystalline behavior under changing temperatures. Lastly, block copolymer filaments extruded at varying speeds are analyzed. The X-ray data are used to gain a baseline understanding of crystalline behavior in these unique filaments.

36 MATERIALS SCIENCE↗
DOE OSTI2016

RESOLVING THE ROTATION MEASURE OF THE M87 JET ON KILOPARSEC SCALES

We investigate the distribution of Faraday rotation measure (RM) in the M87 jet at arcsecond scales by using archival polarimetric Very Large Array data at 8, 15, 22 and 43 GHz. We resolve the structure of the RM in several knots along the jet for the first time. We derive the power spectrum in the arcsecond-scale jet and find indications that the RM cannot be associated with a turbulent magnetic field with a 3D Kolmogorov spectrum. Our analysis indicates that the RM probed on jet scales has a significant contribution of a Faraday screen associated with the vicinity of the jet, in contrast with that on kiloparsec scales, typically assumed to be disconnected from the jet. Comparison with previous RM analyses suggests that the magnetic fields giving rise to the RMs observed in jet scales have different properties and are well less turbulent than those observed in the lobes.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2022

Investigation of the impact of supplemental reflective films to improve micro-light climate within tomato plant canopy in solar greenhouses

The non-uniform growth and development of crops within Chinese Solar Greenhouses (CSG) is directly related to the micro-light climate within canopy. In practice, reflective films are used to improve micro-light climate within plant canopy by homogenizing light distribution and so increasing total plant light interception. However, as to our knowledge, the contributions to light distribution within canopy have not been investigated for passive reflector like reflective films. Field experiments dealing with light conditions and growth behavior over time, are complicated to carry out, time-consuming and hard to control, while however, accurate measurements of how reflective films influence the micro-light climate of canopy are an essential step to improve the growth conditions for any crop. Here, we propose a supplementary light strategy using reflective films to improve light distribution within plant canopy. Based on the example of CSG, a 3D greenhouse model including a detailed 3D tomato canopy structure was constructed to simulate the influence of supplementary reflective films to improve micro-light climate. Comparison of measured solar radiation intensity with predicted model data demonstrated that the model could precisely predict light radiation intensity over time with different time points and positions in the greenhouse. A series of reflective film configurations were investigated based on features analysis of light distribution in the tomato canopy on sunny days using the proposed model. The reflective film configuration scheme with the highest impact significantly improved the evenness of horizontal and vertical light distribution in tomato canopy. The strategy provided here can be used to configure reflective films that will enhance light conditions in CSG, which can be applied and extended in different scenarios.

Liu, Anhua↗
DOE OSTI2018

First-Principle Calculations of Structural, Elastic, and Electronic Properties of Intermetallic Rare Earth R{sub 2}Ni{sub 2}Pb (R = Ho, Lu, and Sm) Compounds

The structural, elastic, and electronic properties of rare earth intermetallic R{sub 2}Ni{sub 2}Pb (where R = Ho, Lu, and Sm) compounds were investigated with the density functional theory (DFT) calculations. The calculations are performed using the full potential-linearized augmented plane wave (FP-LAPW) method within the framework of local density approximation (LDA). The calculated values of the equilibrium lattice constants were in agreement with the available experimental values. The elastic constants (C{sub ij}) were also calculated to understand the mechanical properties and structural stability of the compounds. Furthermore, the density of states and the charge density distributions of the compounds were calculated to understand the nature of the bonding in the material. The calculated results are in accordance with the available data in the literature.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2019

Coupled Geomechanical Modeling to Assess Cap Rock Integrity and Mechanical Fault Stability: Application to Farnsworth Field Unit Project

Abstract The SWP project is located in a mature waterflood undergoing conversion to CO2-WAG operations in the Farnsworth, Texas, USA. Anthropogenic CO2 is sourced from a fertilizer and an ethanol plant. This work utilizes Farnsworth’s full-field, history-matched, compositional hydrodynamic coupled geomechanical model for assessing the impact of stress changes observed through the history matched field life. Production and injection induced stress changes, fault stability and caprock integrity investigations are performed to project the potential for fault reactivation and the loss of caprock integrity under shear failure. A static mechanical earth model (MEM) was constructed for use in transient coupled geomechanical model based on the existing Southwest Regional Partnership (SWP) geological model. The static MEM inherits the stratigraphic and structural features of the geologic model and incorporates additional overburden, underburden, and sideburden formations required to impose mechanical boundary conditions. Mechanical properties were distributed in the 3D MEM through integration of geophysical logs and 3-dimensional seismic elastic inversion properties using a combination of Bayesian and stochastic interpolation methods. These data are further enhanced by lab derived strength and failure criteria for the caprock interval. Additionally, interpreted faults and other geological features were included as part of the static structural framework to fully represent subsurface hydraulic and mechanical systems and appropriately integrate heterogeneity. Two-way coupling of hydrodynamic flow and geomechanical simulations incorporates the Kozeny-Carman relationship for updating permeability and is history matched through primary, secondary (waterflooding) and tertiary (CO2 WAG) recovery periods before performing a twenty year forecast. Two-way simulations are performed to understand the effective stress perturbations imposed by field operations: water injection and the more recent implementation of WAG. Evaluation of Mohr circles with liquid production and field pressure charts as well as slip tendency and distance to failure metrics indicate that neither our faults or cap rock are critically stressed. This paper presents the results of the Farnsworth initial attempts to integrate the seismic driven 3D MEM into coupled hydrodynamic geomechanical history match simulation workflow.

02 PETROLEUM↗
DOE OSTI2016

Fast equilibration protocol for million atom systems of highly entangled linear polyethylene chains

Equilibrated systems of entangled polymer melts cannot be produced using direct brute force equilibration due to the slow reptation dynamics exhibited by high molecular weight chains. Instead, these dense systems are produced using computational techniques such as Monte Carlo-Molecular Dynamics hybrid algorithms, though the use of soft potentials has also shown promise mainly for coarse-grained polymeric systems. Through the use of soft-potentials, the melt can be equilibrated via molecular dynamics at intermediate and long length scales prior to switching to a Lennard-Jones potential. We will outline two different equilibration protocols, which use various degrees of information to produce the starting configurations. In one protocol, we use only the equilibrium bond angle, bond length, and target density during the construction of the simulation cell, where the information is obtained from available experimental data and extracted from the force field without performing any prior simulation. In the second protocol, we moreover utilize the equilibrium radial distribution function and dihedral angle distribution. This information can be obtained from experimental data or from a simulation of short unentangled chains. Both methods can be used to prepare equilibrated and highly entangled systems, but the second protocol is much more computationally efficient. These systems can be strictly monodisperse or optionally polydisperse depending on the starting chain distribution. Our protocols, which utilize a soft-core harmonic potential, will be applied for the first time to equilibrate a million particle system of polyethylene chains consisting of 1000 united atoms at various temperatures. Calculations of structural and entanglement properties demonstrate that this method can be used as an alternative towards the generation of entangled equilibrium structures.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2023

Topological solitonic macromolecules

Being ubiquitous, solitons have particle-like properties, exhibiting behaviour often associated with atoms. Bound solitons emulate dynamics of molecules, though solitonic analogues of polymeric materials have not been considered yet. Here we experimentally create and model soliton polymers, which we call “polyskyrmionomers”, built of atom-like individual solitons characterized by the topological invariant representing the skyrmion number. With the help of nonlinear optical imaging and numerical modelling based on minimizing the free energy, we reveal how topological point defects bind the solitonic quasi-atoms into polyskyrmionomers, featuring linear, branched, and other macromolecule-resembling architectures, as well as allowing for encoding data by spatial distributions of the skyrmion number. Application of oscillating electric fields activates diverse modes of locomotion and internal vibrations of these self-assembled soliton structures, which depend on symmetry of the solitonic macromolecules. Our findings suggest new designs of soliton meta matter, with a potential for the use in fundamental research and technology.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2020

The shape of SN 1993J re-analysed

SN 1993J is one of the best-studied Type IIb supernovae. Spectropolarimetric data analyses were published over two decades ago at a time when the field of supernova spectropolarimetry was in its infancy. Here, we present a new analysis of the spectropolarimetric data of SN 1993J and an improved estimate of its interstellar polarization (ISP) as well as a critical review of ISP removal techniques employed in the field. The polarization of SN 1993J is found to show significant alignment on the q - u plane, suggesting the presence of a dominant axis and therefore of continuum polarization. We also see strong line polarization features, including H β, He i λ5876, H α, He i λ6678, He i λ7065, and high velocity (HV) components of He i λ5876 and H α. SN 1993J is therefore the second example of a stripped-envelope supernova, alongside iPTF13bvn, with prominent HV helium polarization features, and the first to show a likely HV H α contribution. Overall, we determine that the observed features can be interpreted as the superposition of anisotropically distributed line forming regions over ellipsoidal ejecta. We cannot exclude the possibility of an off-axis energy source within the ejecta. These data demonstrate the rich structures that are inaccessible if solely considering the flux spectra but can be probed by spectropolarimetric observations. In future studies, the new ISP corrected data can be used in conjunction with 3D radiative transfer models to better map the geometry of the ejecta of SN 1993J.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2024

BCSR on GPU: A Way Forward Extreme-scale Graph Processing on Accelerator-enabled Frontier Supercomputer

Handling large graphs in a distributed environment requires effective partitioning across processors and efficient management of local partitions. In 2D partitioning, local graphs often become too sparse, making memory-efficient data structures crucial. Using the Compressed Sparse Row (CSR) format wastes space, especially for > 83% of vertices with empty edges for the sparse graphs. This study explores bit-CSR (BCSR), a modified CSR representation, on GPUs to reduce memory usage in graph computations. We achieved 16.67% memory savings on a sparse rmat dataset with 268 million vertices and 357 million edges, without performance degradation, supported by both theoretical and experimental storage savings of 33%. However, we observed a 1.7× slowdown in degree lookup times due to bitwise operations on AMD CPUs. This analysis highlights the potential of BCSR on GPUs for improving Graph500 benchmark performance on GPU-accelerated systems, such as the Frontier supercomputer.

Sattar, Naw Safrin↗
DOE OSTI2019

Distributed Wireless Antenna Sensors for Boiler Condition Monitoring

Monitoring the operational conditions of coal-fired boilers is an important task that could bring tremendous benefits, including in-situ process control, real-time health assessment of structural components, improved heat transfer efficiency, reduced downtime, etc. Moreover, in-situ distributed sensing of the boiler conditions would provide large scale in-situ measurement data that will help us gain fundamental understandings of the combustion and heat transfer processes as well as enable the developments of new simulation tools, which could eventually lead to better design and more efficient operation of the boilers. The objectives of this research were to (a) develop wireless passive antenna sensors without electronics; (b) demonstrate multi-modality sensing using a signal antenna sensor; and (c) fabricate the antenna sensor from high-temperature materials. In this project, we have demonstrated that an antenna sensor or sensor array without any electronics can be wirelessly interrogated from a distance. In addition, a low-cost compact wireless sensor interrogator was developed for dynamic interrogation of the passive antenna sensor. We validated that a dual-frequency antenna sensor is capable of simultaneous strain and temperature measurements or temperature and ash accumulation measurements; all parameters are relevant to boiler condition monitoring. By measuring the temperature and ash accumulation height simultaneously, the dielectric constant of the ash as well as its temperature dependency can also be characterized. This capability could lead to potential applications of the antenna sensor for combustion process monitoring based on the ash composition. We also investigated different techniques of fabricating the antenna sensor using high-temperature materials such as alumina substrate and platinum paste and characterized the thermal response of the antenna sensor. A linear relationship between the antenna resonant frequency and the temperature change was validated.

20 FOSSIL-FUELED POWER PLANTS↗
DOE OSTI2022

Rheo-Structural Spectroscopy: Fingerprinting the In Situ Response of Fluids to Arbitrary Flow Fields

The objectives of this project were to develop new sample environments, measurement methodologies and associated modeling tools for characterizing the structural response to arbitrarily complex processing flows using small angle scattering, and to apply these new tools for understanding the fundamental physics governing the structuring of anisotropic particulate and polymeric materials under flow histories and conditions relevant to industrial processing flows. The research resulted in the development and implementation of a new sample environment, the fluidic four roll mill (FFoRM), for in situ small angle neutron and X-ray scattering (SANS/SAXS) measurements. These measurements are capable of generating large data sets that “fingerprint” how a complex fluid responds to a wide range of flow histories involving time variations in deformation type and rate. New modeling tools were developed to extract detailed microstructural information from such data sets, including orientation distribution functions and interparticle correlation functions, as well as reduced-order parametric descriptors of these high-dimensional functions that can be used to readily map, visualize and interpret a fluid’s structural response to its flow history. These new tools were applied to a range of model materials involving elongated particle suspensions in order to provide new insights into the physics of how flow couples with orientational and structural order in complex flows, particularly under non-dilute conditions for which no accurate theories currently exist. Using these investigations, we elucidated a number of new insights into the fundamental phenomena driving such process-structure-property relationships. These findings provide guidance for the further development of rheological models, and ultimately can inform the rational and model-based design of flow processes to achieve optimized orientational ordering that is key to the properties and function of a wide range of energy-relevant materials.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Reinforcement Learning-based Output Structured Feedback for Distributed Multi-Area Power System Frequency Control

Load frequency control (LFC) is a key factor to maintain the stable frequency in multi-area power systems. As the modern power systems evolve from centralized to decentralized paradigm, LFC needs to consider the decentralized scheme that considers limited information from the information-exchange graph for the generator control of each interconnected area. This paper aims to solve a data-driven constrained LQR problem with mean-variance risk constraints and output structured feedback, and applies this framework to solve the LFC problem in multi-area power systems. By reformulating the constrained optimization problem into a minimax problem, the stochastic gradient descent max-oracle (SGDmax) algorithm with zero-order policy gradient (ZOPG) is adopted to find the optimal feedback gain from the learning, while guaranteeing the convergence. In addition, to improve the adaptation of the proposed learning method to new or varying models, we construct an emulator grid that approximates the dynamics of a physical grid and performs training based on this model. Once the feedback gain is obtained from the emulator grid, it is applied to the physical grid with a robustness test to check whether the controller from the approximated emulator applies to the actual system. Numerical tests show that the obtained feedback controller can successfully control the frequency of each area, while mitigating the uncertainty from the loads, with reliable robustness that ensures the adaptability of the obtained feedback gain to the actual physical grid.

Kwon, Kyung-bin↗
DOE OSTI2024

DyG-DPCD: A Distributed Parallel Community Detection Algorithm for Large-Scale Dynamic Graphs

Dynamic (Temporal) graphs capture the valuable evolution of real-world systems, from the continuously evolving patterns of social interactions and genetic pathways to the dynamic fluctuations of economic forces. Detecting communities for such evolving networks poses unique challenges. Detecting and analyzing the evolution of communities within dynamic graphs unlocks valuable insights into the underlying structural and temporal patterns of real-world systems. However, the sheer volume of modern graph data and the inherent complexity of the temporal dimension pose significant challenges to scalable community detection algorithms. Addressing this gap, our work explores the limited landscape of scalable distributed-memory parallel methods specifically designed for dynamic network community detection. We propose a novel parallel algorithm, DyG-DPCD (Dynamic Graph Distributed Parallel Community Detection), to detect communities in dynamic networks using the Message Passing Interface (MPI) framework. We present a vertex-centric approach, allowing us to detect communities through local optimization. Furthermore, we enhance our baseline algorithm by incorporating three heuristics, which improve the algorithm’s performance significantly while maintaining the quality of the solutions. We demonstrate the efficiency of our algorithm by experimenting on several real-world large-scale networks with hundreds of millions of edges spanning diverse domains. Notably, DyG-DPCD achieves speedups between 25× and 30× for large networks that we experimented on using NERSC compute nodes. In conclusion, our algorithm outperforms the STINGER parallel re-agglomeration algorithm by 30×.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2024

GLIMPSE of Future Power Grid Models

Power grid is one of the critical national infrastructures with social, economics, and national security impacts. Particularly, power distribution systems represent part of the infrastructure between power distribution substations and customers such as residential, commercial, and industrial. To address various grid modernization challenges, state-of-the-art algorithms and methodologies have been developed to deploy, operate, and expand a secure and resilient power grid. At the same time, there is a need to develop capabilities to assist power grid stakeholders to quickly get insight into the design and structure of the grid. Data visualization is a key approach to comprehend and understand complex systems such as the power grid. We present GLIMPSE Grid Layout Interface for Model Preview and System Exploration), a graph-based semantic-aware application to visualize and update distribution power grid models. The GLIMPSE can be used with standard IEEE models to search and highlight power grid objects such as generators, loads, overhead lines, etc. Additionally, it supports updating attributes and model export to integrate with GridLAB-D simulations.

Cybersecurity, power grid, visualization↗
DOE OSTI2026

Signatures of Thermoreversible Associations in X-ray and Neutron Scattering from Dilute Polyzwitterion Solutions

In aqueous solutions of polyzwitterions (PZs), an interplay between dipole–dipole interactions and hydration of zwitterionic groups can lead to thermoreversible associations, which have been difficult to detect in experiments. Here, in this study, we investigated dilute aqueous solutions of poly(1-(3-sulphonatopropyl)-2-vinylpyridinium) (P2VPPS) using small-angle X-ray and neutron scattering (SAXS and SANS) to probe the structure and neutron spin-echo (NSE) spectroscopy to probe dynamics. The SAXS and SANS data show that the correlation length increases with an increase in the concentration of P2VPPS for three different molecular weights. The addition of 0.1 M NaCl to one of the solutions led to almost no dependence of the correlation length on the concentration. Such a concentration dependence of the correlation length suggests the formation of clusters driven by thermoreversible associations in the solutions. The NSE measurements show that the solutions with a larger correlation length display slower relaxation, reflecting the reduced mobility of larger clusters. These results should be considered as signatures of thermoreversible associations in the solutions of P2VPPS. To establish a quantitative link between local structure (clusters) and dynamics in dilute solutions of P2VPPS, we combined a thermoreversible gelation theory for the structure of PZ solutions (Li, S.-F.; Muthukumar, M. Theory of Thermoreversible Gelation and Anomalous Concentration Fluctuations in Polyzwitterion Solutions. J. Chem. Phys. 2024, 161, 024903) with a model for the dynamics of the clusters (generalized Zimm model), developed in this work. Using such a theoretical framework, we have predicted the distribution of clusters in the solutions probed with SANS and SAXS. With the distributions, the generalized Zimm model has been used to extract the diffusion constant of the clusters and their characteristic size from the NSE data, where the latter agrees with the values estimated from the SAXS/SANS data. These findings confirm the presence of thermoreversible associations and establish a quantitative link between local structure (clusters) and dynamics in dilute solutions of P2VPPS. Furthermore, with growing interest in technological applications, this work can provide useful insights into the structural and dynamical properties of other PZ solutions.

field theory↗
DOE OSTI2022

Studies of BONuS12 Radial GEM Detector and TCS Beam Spin Asymmetry in CLAS12

The Barely Offshell Nucleon Structure (BONuS12) experiment adopted the concept of spectator tagging technique to study the nearly-free neutron structure function Fn2 in the CLAS12 of Jefferson Lab. A novel Radial Time Projection Chamber (RTPC) detector was built, tested and integrated into the CLAS12 system to detect a back-moving low momentum tagged proton in d(e,ep)X deep-inelastic scattering. It was a 40 cm long gaseous detector consisting of 3 layers of cylindrical GEM foils for the charge amplification, with the data readout directly from the surrounding padboard. The RTPC detected the recoiling spectator proton, in coincidence with the scattered electron in the CLAS12. Nucleon structure functions are directly related to the partonic functions, quarks momentum distribution in one dimension. A Generalized Parton Distribution (GPD) came to the lime-light as it encodes the information of both longitudinal momentum and transverse position of partons inside the nucleons. Factorization of hard process such as DVCS allows to access GPDs. Timelike Compton Scattering (TCS), ?p ? ??p, is another process that allows to access the GPDs. TCS is studied experimentally in the CLAS12 of Jefferson lab using the quasi-real photoproduction of time-like photon which eventually decays to lepton pair. This dissertation presents the concept of spectator tagging in BONuS12, and the research and development efforts during the BONuS12 preparation leading up to the successful data-taking during spring and summer 2020. In addition, analysis framework to extract the beam spin asymmetry of TCS events through the CLAS12 Run group A data is presented.

Poudel, Jiwan↗
DOE OSTI2024

Modeling Distributed Computing Infrastructures for HEP Applications

Predicting the performance of various infrastructure design options in complex federated infrastructures with computing sites distributed over a wide area network that support a plethora of users and workflows, such as the Worldwide LHC Computing Grid (WLCG), is not trivial. Due to the complexity and size of these infrastructures, it is not feasible to deploy experimental test-beds at large scales merely for the purpose of comparing and evaluating alternate designs. An alternative is to study the behaviours of these systems using simulation. This approach has been used successfully in the past to identify efficient and practical infrastructure designs for High Energy Physics (HEP). A prominent example is the Monarc simulation framework, which was used to study the initial structure of the WLCG. New simulation capabilities are needed to simulate large-scale heterogeneous computing systems with complex networks, data access and caching patterns. A modern tool to simulate HEP workloads that execute on distributed computing infrastructures based on the SimGrid and WRENCH simulation frameworks is outlined. Studies of its accuracy and scalability are presented using HEP as a case-study. Hypothetical adjustments to prevailing computing architectures in HEP are studied providing insights into the dynamics of a part of the WLCG and candidates for improvements.

Horzela, Maximilian↗