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All sources NASA NTRS DOE OSTI

DOE OSTI2019

A Plug-Loads Game Changer: Computer Gaming Energy Efficiency without Performance Compromise

Two-thirds of Americans play computer games. Although among the most complex and energy intensive plug loads, gaming has been largely overlooked in energy research and development and policy. Systems used for computer gaming in California consumed 4.1 terawatt-hours/year in 2016 or $700 million in energy bills, with emissions of 1.5 million tons carbon dioxide equivalent allocated 66 percent to consoles, 31 percent to desktop personal computers, 3 percent to laptops, and less than 1 percent to emerging media streaming devices. Key findings include: • Aggregate energy demand places gaming among the top plug loads in California, with gaming representing one-fifth of the state’s total miscellaneous residential energy use. • Market structure changes could substantially affect statewide energy use; energy demand could rise by 114 percent by 2021 under intensified desktop gaming, or fall by 24 percent given a major shift towards consoles coupled with energy efficiency gains. • Unit energy consumption is remarkably varied across gaming platform types: across 26 systems tested, client-side electricity use ranged from 5 to more than 1,200 kWh per year, reflecting equipment choice and usage patterns. • Some emerging technologies and activities are driving energy demand higher, including processor overclocking, cloud-based gaming, higher-resolution connected displays, and virtual reality gaming. • User behavior influences gaming energy use more than technology choice; duty cycle and game choice are particularly strong drivers of demand. • Energy efficiency opportunities are substantial, about 50 percent on a per-system basis for personal computers and 40 percent for consoles if past rates of improvement continue. While simultaneously quantifying efficiency and gaming performance is problematic, evidence suggests that efficiency can be improved while maintaining or improving user experience. Familiar energy policy strategies can help manage gaming energy demand, although mandatory system-level standards are not promising (component-level measures may be).

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

NASA NTRS1980

Conceptual design of two-phase fluid mechanics and heat transfer facility for spacelab

Five specific experiments were analyzed to provide definition of experiments designed to evaluate two phase fluid behavior in low gravity. The conceptual design represents a fluid mechanics and heat transfer facility for a double rack in Spacelab. The five experiments are two phase flow patterns and pressure drop, flow boiling, liquid reorientation, and interface bubble dynamics. Hardware was sized, instrumentation and data recording requirements defined, and the five experiments were installed as an integrated experimental package. Applicable available hardware was selected in the experiment design and total experiment program costs were defined.

North, B. F.↗

NASA NTRS2012

The Extended Pulsar Magnetosphere

We present the structure of the 3D ideal MHD pulsar magnetosphere to a radius ten times that of the light cylinder, a distance about an order of magnitude larger than any previous such numerical treatment. Its overall structure exhibits a stable, smooth, well-defined undulating current sheet which approaches the kinematic split monopole solution of Bogovalov 1999 only after a careful introduction of diffusivity even in the highest resolution simulations. It also exhibits an intriguing spiral region at the crossing of two zero charge surfaces on the current sheet, which shows a destabilizing behavior more prominent in higher resolution simulations. We discuss the possibility that this region is physically (and not numerically) unstable. Finally, we present the spiral pulsar antenna radiation pattern.

Constantinos, Kalapotharakos↗

NASA NTRS2012

QuakeSim 2.0

QuakeSim 2.0 improves understanding of earthquake processes by providing modeling tools and integrating model applications and various heterogeneous data sources within a Web services environment. QuakeSim is a multisource, synergistic, data-intensive environment for modeling the behavior of earthquake faults individually, and as part of complex interacting systems. Remotely sensed geodetic data products may be explored, compared with faults and landscape features, mined by pattern analysis applications, and integrated with models and pattern analysis applications in a rich Web-based and visualization environment. Integration of heterogeneous data products with pattern informatics tools enables efficient development of models. Federated database components and visualization tools allow rapid exploration of large datasets, while pattern informatics enables identification of subtle, but important, features in large data sets. QuakeSim is valuable for earthquake investigations and modeling in its current state, and also serves as a prototype and nucleus for broader systems under development. The framework provides access to physics-based simulation tools that model the earthquake cycle and related crustal deformation. Spaceborne GPS and Inter ferometric Synthetic Aperture (InSAR) data provide information on near-term crustal deformation, while paleoseismic geologic data provide longerterm information on earthquake fault processes. These data sources are integrated into QuakeSim's QuakeTables database system, and are accessible by users or various model applications. UAVSAR repeat pass interferometry data products are added to the QuakeTables database, and are available through a browseable map interface or Representational State Transfer (REST) interfaces. Model applications can retrieve data from Quake Tables, or from third-party GPS velocity data services; alternatively, users can manually input parameters into the models. Pattern analysis of GPS and seismicity data has proved useful for mid-term forecasting of earthquakes, and for detecting subtle changes in crustal deformation. The GPS time series analysis has also proved useful as a data-quality tool, enabling the discovery of station anomalies and data processing and distribution errors. Improved visualization tools enable more efficient data exploration and understanding. Tools provide flexibility to science users for exploring data in new ways through download links, but also facilitate standard, intuitive, and routine uses for science users and end users such as emergency responders.

Donnellan, Andrea↗

DOE OSTI2024

An Open-Source Framework for Characterizing Urban Energy Models: Integrating Top-Down and Bottom-Up Methods to Predict Residential Buildings Characteristics: Preprint

Bottom-up urban energy models are crucial for understanding current energy use patterns and informing design strategies. However, accurately characterizing these models to represent different communities remains a challenge due to the extensive data needed for simulating existing energy use behavior. This data includes information related to human activities and building characteristics, all of which correlate with socioeconomic factors. To overcome this challenge, we developed an automated framework that utilizes both top-down and bottom-up data, to predict unknown building and occupant characteristics that are needed for more accurate and equitable modeling and analytics. Our framework, integrated into the URBANopt district energy modeling platform, uses statistical data models from ResStock. URBANopt models co-located buildings and neighborhoods. At this scale there are data gaps in building characteristic data, such as materials, insulation, occupancy, income, and energy usage of the buildings. To address this data gap, we use ResStock data, representative at the census tract scale, and develop machine-learning and deeplearning techniques to disaggregate it to individual buildings. By mapping unique occupant, building and economic properties to URBANopt energy models, we gain detailed insights into the variability of building energy use across different neighborhoods. This insight helps deploy technologies for co-located buildings and supports targeted upgrades for communities with unique economic and demographic characteristics, ensuring energy equity. Accurate characterization of energy models allows us to develop equitable strategies tailored to diverse neighborhoods, whether underserved or affluent. Our automated framework streamlines energy modeling and provides a reliable tool for building energy characterization.

ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATION↗

DOE OSTI2023

Structural modulation and spin glassiness upon oxidation in oxygen storage material LnFeMnO 4+x for Ln = Y, Lu, and Yb

The mixed valence multiferroic LnFe 2+ Fe 3+ O 4 (where Ln = Y, Lu, and Yb) can reversibly uptake oxygen into its lattice, which is evidenced by a crystallographic phase transition along with the appearance of structural modulations. In this study, we show that the Mn-substituted version of this multiferroic can also be readily oxidized to LnFe 3+ Mn 3+ O 4.5 revealing similar oxygen storage behavior. Through neutron, electron, and synchrotron x-ray diffraction studies, we observe a structural modulation that we attribute to a displacement wave in the fully oxidized compound. This wave exhibits commensurability with a wavevector q = (-2/7, 1/7, 0). Bond valence summation analysis of plausible interstitial oxygen positions suggests that oxygen insertion likely occurs at the middle of the Fe/Mn–O bipyramid layers. The structural modulation of LnFeMnO 4.5 is two-dimensional, propagates along the ab-plane, and is highly symmetric as 12 identical modulation vectors are observed in the diffraction patterns. The nature of the lanthanide, Ln 3+ , does not seem to influence such modulations since we observe identical satellite reflections for all three samples of Ln = Y, Lu, and Yb. Both LnFeMnO 4 and LnFeMnO 4.5 display spin glassy behavior with 2D short-range magnetic ordering being observed in LnFeMnO 4 . Analysis of the neutron diffraction data reveals a correlation length of ~10 nm. Upon oxidation to LnFeMnO 4.5 , the short-range magnetic order is significantly suppressed.

36 MATERIALS SCIENCE↗

DOE OSTI2026

One-to-one mapping between the electromagnetic modes of cylindrical and coaxial half-wave cavities

Design of radio frequency (RF) couplers and diagnostics require a good understanding of the electromagnetic mode patterns of RF cavities. This study investigates the adiabatic transformation of transverse magnetic (TM) modes in a cylindrical cavity into transverse electromagnetic (TEM) modes of a coaxial cavity by gradually introducing an inner conductor. Using CST Studio Suite, we simulate the eigenmode evolution as the geometry transforms from a pure cylindrical to a coaxial configuration. We track the behavior of TM010 through TM014 modes to observe the continuous evolution into the corresponding TEM0 through TEM4 modes of the coaxial cavity. The process is governed by the evolution of the electric field orientation as the geometry shifts, enabling the axial TM fields to reorient into the radial electric field configuration of TEM modes. Field patterns, eigen-frequencies, and mode indentities are analyzed throughtout the transition. The results provide simulation-based evidence that TM to TEM conversion occurs without generation of newer eigenmodes, offering a valuable insight into the design of transition regions in superconducting RF (SRF) systems and provides a foundation for experimental validation.

Accelerator Physics↗

NASA NTRS1994

Cluster growth modeling of plateau erosion

The pattern of erosion of a plateau along an escarpment may be modeled usng cluster growth techniques, recently popularized in models of drainage network evolution. If erosion on the scarp takes place in discrete events at rates subject to local substrate strength, the whole range of behavior is described by a combination of three cluster growth mechanisms: invasion percolation, Eden growth and diffusion-limited aggregation (DLA). These model the relative importance of preexisting substrate strength, background weathering, and seepage weathering and erosion respectively. The rate of seepage processes is determined by the efflux of groundwater at the plateau margin, which in turn is determined by the pressure field in the plateau aquifer. If this process acted alone, it would produce erosion patterns in the form of Laplacian fractals, with groundwater recharge from a distant source, or Poissionian fractals, with groundwater recharge uniform over the plateau. DLA is used to mimic the Laplacian or Poissonian potential field and the corresponding seepage growth process. The scaling structure of clusters grown by pure DLA, invasion percolation, or Eden growth is well known; this study presents a model which combines all three growth mechanisms for the first time. Mixed growth processes create clusters with different scaling properties and morphologies over distinct length scale ranges, and this is demonstrable in natural examples of plateau erosion.

Stark, Colin P.↗

DOE OSTI2024

Self-assembled reconfigurable pump architectures via magnetic colloidal swarms

Self-assembled swarms of interactive active units, which are adaptive and dynamically reconfigurable to accommodate different functionalities, represent a promising platform for the development of next-generation robotics. Here, we utilize the emergent collective behavior of active magnetic colloids confined in quasi-two-dimensional arrays of overlapping wells to demonstrate the self-organization of a colloidal swarm into a dynamic pump architecture capable of controlled transport of passive cargo particles. This dynamic architecture provides a global unidirectional looping flow pattern along the entire length of the system. We show that the flow direction of the dynamic swarm-based pump can be externally controlled by a phase shift of a driving magnetic field energizing the swarm. The experimental observations are supported by computational modeling based on phenomenological coarse-grained particle dynamics coupled to shallow-water Navier-Stokes hydrodynamics. In conclusion, our findings demonstrate how the emergent collective behavior of a swarm can be orchestrated into a desired functionality by exploiting the interplay between activity and confinement potentials.

36 MATERIALS SCIENCE↗

DOE OSTI2019

Microstructure and Corrosion Behavior of Cr Coating on M50 Steel Fabricated by Electrospark Deposition

Cr coatings are deposited on M50 steel by electrospark deposition with different parameters (100 V-60 μF, 100 V-90 μF, 100 V-120 μF, 150 V-60 μF, 150 V-90 μF and 150 V-120 μF). Influences of the depositing parameters on the microstructure and the corrosion behavior of the coatings were experimentally investigated. There is a linear trend of growth between the mass gain per area and the deposition cycles before reaching the maximum values. The voltage has more influence on the mass gain per area than the capacitance. The coatings display a splash-like pattern decorated with a few of micro-cracks. The micro-cracks are more sensitive to the voltage than the capacitance. The anti-corrosion ability of the coating is significantly better than the M50 steel. Local corrosion occurs in the coating when there are through-coating cracks. The coating deposited under 150 V-60 μF has the minimum defect density and the best anti-corrosion behavior.

36 MATERIALS SCIENCE↗

DOE OSTI2023

Dynamic Motions of Topological Defects in Nematic Liquid Crystals under Spatial Confinement

Abstract Topological defects (TDs) have become a sensational topic due to their significant influence on the unusual optical and physiochemical characteristics of the material. To facilitate their application across a wide range of disciplines it is desirable to analyze and gain fundamental understanding of TDs in both equilibrium and nonequilibrium systems. Liquid crystals (LCs) are considered an ideal system for study given the direct visualization of TDs and a straightforward analyzation process. In addition to the equilibrium morphology of LC TDs, it is also of great interest to track and control the formation and annihilation of defects during thermodynamic processes. However, controlling the dynamic behavior of formed defects remains a challenge. Here, nematic LCs confined in a cell exhibiting surfaces with periodic anchoring conditions containing surface topography are relied on. The effects of patterned surface characteristics such as width, periodicity, and degree of curvature on defects dynamic motion, stabilization, and annihilation are explored. The computational experiments recapitulate the TDs transition path and provide free energy‐based predictions of critical distances for defect annihilation. Taken together, this simple approach offers a promising opportunity to control the dynamics of TDs in LCs through chemical patterned surfaces with topography.

36 MATERIALS SCIENCE↗

DOE OSTI2019

Novel Ordered Rocksalt-Type Lithium-Rich Li 2 Ru 1–x Ni x O 3-δ (0.3 ≤ x ≤ 0.5) Cathode Material with Tunable Anionic Redox Potential

In this work, a series of ordered rocksalt (OR) type Li-rich Li 2 Ru 1–x Ni x O 3-δ (LRN x O, 0.3 ≤ x ≤ 0.5) are successfully synthesized and investigated for the first time. X-ray diffraction and neutron powder diffraction patterns exhibit an obvious phase transition from layered to an OR structure as the Ni content gradually increases from x = 0 to x = 0.5, which leads to different electrochemical behaviors. In the case of OR-LRN 0.4 O, an ~350 mV decrease of the oxygen oxidation potential compared with Li 2 RuO 3 (LRO) is observed from around 4.2 to 3.85 V, which is confirmed by both X-ray photelectron O 1s spectra and dQ/dV results. Additionally, the role of Ni substitution on the oxygen redox reaction is studied by first-principles calculations, and it is concluded that the formation of the OR structure caused by Ni substitution is the main reason for lowering the oxygen oxidation potential. In addition, the average discharge voltage of OR-LRN 0.4 O is also enhanced compared with LRO. This work provides a novel innovative strategy to modulate and control the oxygen anion redox reaction for high-energy-density Li-rich materials, which shed light on the fundamental understanding and optimizing of the anion redox process in Li-rich materials.

25 ENERGY STORAGE↗

DOE OSTI2020

Electronic structure calculations of twisted multi-layer graphene superlattices

Quantum confinement endows two-dimensional (2D) layered materials with exceptional physics and novel properties compared to their bulk counterparts. Although certain two- and few-layer configurations of graphene have been realized and studied, a systematic investigation of the properties of arbitrarily layered graphene assemblies is still lacking. We introduce theoretical concepts and methods for the processing of materials information, and as a case study, apply them to investigate the electronic structure of multi-layer graphene-based assemblies in a high-throughput fashion. We provide a critical discussion of patterns and trends in tight binding band structures and we identify specific layered assemblies using low-dispersion electronic bands as indicators of potentially interesting physics like strongly correlated behavior. A combination of data-driven models for visualization and prediction is used to intelligently explore the materials space. This work more generally aims to increase confidence in the combined use of physics-based and data-driven modeling for the systematic refinement of knowledge about 2D layered materials, with implications for the development of novel quantum devices.

36 MATERIALS SCIENCE↗

DOE OSTI2021

Stability of the peroxide group in BaO 2 under high pressure

Alkaline earth metal peroxides are typical examples of ionic compounds containing polyanions. We herein report a stable BaO 2 phase at high pressure up to 130 GPa found via a first-principles computational structure searches and high-pressure experimental investigations. The identified monoclinic structure (space group C2/m) can be derived by sublattice distortions of Ba atoms and peroxide groups associated with the phonon mode softening of the lower-pressure Cmmm structure. Contrary to the previous expectation of polymerization of the peroxide group at elevated pressure, the new phase retains the peroxide group and interestingly exhibits an insulating behavior demonstrating an increase of the band gap under compression. Our synchrotron XRD measurements could not distinguish between Cmmm and C2/m BaO 2 definitively because the difference in XRD patterns is very subtle. However, our data do not show any sign of polymerization transition up to 120 GPa. Raman spectra of the O-O peroxide vibration show a small anomaly in frequency at 110 GPa, which is qualitatively similar to that predicted theoretically due to the Cmmm to C2/m phase transition thus supporting the predicted transformation.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

DOE OSTI2024

Nanoscale structural correlations in a model cuprate superconductor

Understanding the extent and role of inhomogeneity is a pivotal challenge in the physics of cuprate superconductors. While it is known that structural and electronic inhomogeneity is prevalent in the cuprates, it has proven difficult to disentangle compound-specific features from universally relevant effects. Here, in this study, we combine advanced neutron and x-ray diffuse scattering with numerical modeling to obtain insight into bulk structural correlations in HgBa 2 ⁢ CuO 4+δ . This cuprate exhibits a high optimal transition temperature of nearly 100 K, pristine charge-transport behavior, and a simple average crystal structure without long-range structural instabilities, and is therefore uniquely suited for investigations of intrinsic inhomogeneity. We uncover diffuse reciprocal-space patterns that correspond to prominent nanoscale correlations of atomic displacements perpendicular to the CuO 2 planes. The real-space nature of the correlations is revealed through three-dimensional pair distribution function analysis and complementary numerical refinement. We find that relative displacements of ionic and CuO 2 layers play a crucial role, and that the structural inhomogeneity is not directly caused by the presence of conventional point defects. The observed correlations are therefore intrinsic to HgBa 2 ⁢ CuO 4+δ , and thus likely important for the physics of cuprates more broadly. It is possible that the structural correlations are closely related to the unusual superconducting fluctuations and Mott-localization in these complex oxides. As advances in scattering techniques yield increasingly comprehensive data, the experimental and analysis tools developed here for large volumes of diffuse scattering data can be expected to aid future investigations of a wide range of materials.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

DOE OSTI2024

Custom Accessors: Enabling Scalable Data Ingestion, (Re-)Organization, and Analysis on Distributed Systems

The emerging class of high velocity and high volume data analytic workflows comprise interwoven data ingestion, organization, and processing stages, with ingestion and organization steps often contributing comparable or even higher computational costs than actual processing steps. Since complex workflows consist of a variety of phases that view and use data differently, being able to construct efficient, scalable, distributed data structures (arrays, vectors, sets, maps, and multi-maps) is essential and requires custom methods to extend and shrink containers, analyze and position data, and, maintain globallyconsistent meta-data. In this paper, we propose a novel datastructure access paradigm based on the concept of Accessors. At a high level, accessors are customizable callable objects that can modify the behavior of insert, read, update, and delete operations for distributed containers while preserving atomicity guarantees. Accessors provide a very clean and natural way to implement a variety of programming patterns, e.g., conditional insertion/deletion and cascading computations, which would be otherwise hard (or even impossible) to express in parallel and distributed settings without using locks. We demonstrate the practicality and usefulness of our approach with two representative use cases and study the performance of these applications on a distributed High-Performance Computing system. Our analysis highlights that our proposed abstraction allows for an effective overlapping and concurrent execution of different workflow steps (e.g., data ingestion and analysis), which in a conventional analytics pipeline would execute sequentially, contributing cumulatively to the overall latency.

Castellana, Vito G. [BATTELLE (PACIFIC NW LAB)] (O↗

DOE OSTI2019

Resistance and Resilience of Sulfidogenic Communities in the Face of the Specific Inhibitor Perchlorate

Hydrogen sulfide is a toxic and corrosive gas, produced by the activity of sulfate-reducing microorganisms (SRM). Owing to the environmental, economic and human-health consequences of sulfide, there is interest in developing specific inhibitors of SRM. Recent studies have identified perchlorate as a promising emerging inhibitor. The aim of this work is to quantitatively dissect the inhibitory dynamics of perchlorate. Sulfidogenic mixed continuous-flow systems were treated with perchlorate. SRM number, sulfide production and community structure were monitored pre-, during and post-treatment. The data generated was compared to a simple mathematical model, where SRM growth slows as a result of inhibition. The experimental data supports the interpretation that perchlorate largely acts to suppress SRM growth rates, rendering planktonic SRM increasingly susceptible to wash-out. Surface-attachment was identified as an important parameter preventing SRM wash-out and thus governing inhibitory dynamics. Our study confirmed the lesser depletion of surface-attached SRM as compared to planktonic SRM during perchlorate treatment. Indirect effects of perchlorate (bio-competitive exclusion of SRM by dissimilatory perchlorate-reducing bacteria, DPRB) were also assayed by amending reactors with DPRB. Indeed, low concentrations of perchlorate coupled with DRPB amendment can drive sulfide concentrations to zero. Further, inhibition in a complex community was compared to that in a pure culture, highlighting similarities and differences between the two scenarios. Finally, we quantified susceptibility to perchlorate across SRM in various culture conditions, showing that prediction of complex behavior in continuous systems from batch results is possible. This study thus provides an overview of the sensitivity of sulfidogenic communities to perchlorate, as well as mechanisms underlying these patterns.

59 BASIC BIOLOGICAL SCIENCES↗

NASA NTRS1986

The climate of Mars

The composition of the primitive Martian atmosphere and its development into the present environment are described. The primitive atmosphere consisted of water vapor, carbon dioxide, and nitrogen released from rocks; the greenhouse effect which maintained the surface temperature above the frost point of water is examined. Volcanic activity reduced the greenhouse effect and along with CO2 removal from the atmosphere caused a lowering of the planet temperature. The global circulation patterns on earth and Mars are compared; the similarities in the circulation patterns and Mars' seasonal variations are studied. The carbon dioxide and water cycles on Mars are analyzed; the carbon dioxide cycle determines seasonal variations in surface pressure and the behavior of the water cycle. The behavior of the atmospheric dust and the relationship between the seasonal dust cycle and Hadley circulation are investigated. The periodic variations in the three orbital parameters of Mars, which affect the climate by changing the seasonal and latitudinal distribution of incoming solar energy are discussed

Haberle, R. M.↗