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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 289 records · Page 16
All sourcesNASA NTRSDOE OSTI
DOE OSTI2017

Spatial exciton allocation strategy with reduced energy loss for high-efficiency fluorescent/phosphorescent hybrid white organic light-emitting diodes

Due to the poor operational lifetime of blue phosphorescent dopants and blue thermally activated delayed fluorescent (TADF) materials, hybrid white organic light-emitting diodes (WOLEDs) with conventional blue fluorescent emitters are still preferred for commercial applications in general lighting. However, the improvement in the overall efficiency of hybrid WOLEDs has been limited due to energy losses during the energy transfer process and exciton quenching after the spatial separation of the singlet and triplet excitons. Here we demonstrate the development of a Spatial Exciton Allocation Strategy (SEAS) to achieve close to 100% internal quantum efficiency (IQE) in blue-yellow complementary color hybrid WOLEDs. The employed blue fluorophore not only has a resonant triplet level with the yellow phosphor to reduce energy loss during energy transfer processes and triplet–triplet annihilation (TTA), but also has a resonant singlet level with the electron transport layer to extend singlet exciton distribution and enhance both singlet and triplet exciton utilization. Thus, the resulting hybrid WOLEDs exhibited 104 lm W -1 efficacy at 100 cd m -2 and 74 lm W -1 at 1000 cd m -2 with CIE coordinates of (0.42, 0.44) which is warm white and suitable for indoor lighting.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Do people spend travel time the way they think they would? a comparative study of generic and trip-specific travel time allocation using hybrid multiple discrete continuous (MDC) framework

Unlike driving alone, public transportation allows one to engage in extraneous activities while traveling – often referred to as travel-based multitasking. Research involving travel-based multitasking often relies on either generic (i.e. not related to an actual trip) or revealed (i.e. related to an executed trip) data. The data collected for this study provided a unique opportunity to compare the generic and trip-specific preferences while traveling on public transportation. To this end, the study develops two integrated choice and latent variable models with multiple discrete-continuous (MDC) kernels to simultaneously model the activity selection and the time allocation for generic and trip-specific data, respectively. According to the results the trip-specific data could identify more nuances in the travel-based multitasking behavior than the generic data. Finally, the heterogeneity identified by the developed models will be helpful for the transit operators in providing appropriate facilities (e.g. internet access, reading lights) along various transit corridors.

99 GENERAL AND MISCELLANEOUS↗
DOE OSTI2012

RAPID, MACHINE-LEARNED RESOURCE ALLOCATION: APPLICATION TO HIGH-REDSHIFT GAMMA-RAY BURST FOLLOW-UP

As the number of observed gamma-ray bursts (GRBs) continues to grow, follow-up resources need to be used more efficiently in order to maximize science output from limited telescope time. As such, it is becoming increasingly important to rapidly identify bursts of interest as soon as possible after the event, before the afterglows fade beyond detectability. Studying the most distant (highest redshift) events, for instance, remains a primary goal for many in the field. Here, we present our Random Forest Automated Triage Estimator for GRB redshifts (RATE GRB-z ) for rapid identification of high-redshift candidates using early-time metrics from the three telescopes onboard Swift. While the basic RATE methodology is generalizable to a number of resource allocation problems, here we demonstrate its utility for telescope-constrained follow-up efforts with the primary goal to identify and study high-z GRBs. For each new GRB, RATE GRB-z provides a recommendation-based on the available telescope time-of whether the event warrants additional follow-up resources. We train RATE GRB-z using a set consisting of 135 Swift bursts with known redshifts, only 18 of which are z > 4. Cross-validated performance metrics on these training data suggest that {approx}56% of high-z bursts can be captured from following up the top 20% of the ranked candidates, and {approx}84% of high-z bursts are identified after following up the top {approx}40% of candidates. We further use the method to rank 200 + Swift bursts with unknown redshifts according to their likelihood of being high-z.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2025

Efficient frequency allocation for superconducting quantum processors using improved optimization techniques

Building on previous research on frequency allocation optimization for superconducting circuit quantum processors, this work incorporates several techniques to improve overall solution quality. Here, we introduce constraints and imposed edgewise differences help to improve the optimization results. We also introduce optimization variables for the orientation of each edge, defined as the direction from the control qubit to the target qubit, to be chosen during optimization. To scale up to larger processors, multimodule designs are employed with various boundary conditions, thereby enhancing the collective yield. These enhancements allow for greater flexibility in processor design by eliminating the need for handpicked orientations. We support the efficient assembly of large processors with dense connectivity by choosing the best boundary conditions. Examples demonstrate that, at low computational cost, this optimization approach finds a frequency configuration for a square chip with over 1000 qubits and over 10% yield at much larger dispersion levels than required by previous approaches.

Zhang, Zewen [Argonne National Laboratory (ANL), A↗
DOE OSTI2018

Uniform redundancy allocation maximizes the robustness of flow networks against cascading failures

We study the robustness of flow networks against cascading failures under a partial load redistribution model. In particular, we consider a flow network of N lines with initial loads L 1 ,...,L N and free spaces (i.e., redundant space) S 1 ,...,S N that are independent and identically distributed with joint distribution P LS (x,y) = P[L ≤ x, S ≤ y]. The capacity C i is the maximum load allowed on line i and is given by C i = L i + S i . Furthermore, when a line fails due to overloading, it is removed from the system and (1 – ε) fraction of the load it was carrying is redistributed equally among all remaining lines in the system. The rest (i.e., ε fraction) of the load is assumed to be lost or absorbed, e.g., due to advanced circuitry disconnecting overloaded power lines or an interconnected network or material absorbing a fraction of the flow from overloaded lines. We analyze the robustness of this flow network against random attacks that remove a p fraction of the lines. Our contributions include (i) deriving the final fraction of alive lines n ∞ (p,ε) for all p,εϵ(0,1) and confirming the results via extensive simulations; (ii) showing that partial redistribution might lead to (depending on the parameter 0 < ε ≤ 1) the order of transition at the critical attack size p* changing from first to second-order; and (iii) proving analytically that flow networks achieve maximum robustness [quantified by the area ∫$^{1}_{0}$ n ∞ (p,ε)dp] when all lines have the same free space regardless of their initial load. The optimality of equal free-space allocation is also confirmed on real-world data from the UK National Power Grid.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2015

Distributed Flexibility Characterization and Resource Allocation Strategies for Multi-zone Commercial Buildings in the Smart Grid

The HVAC (Heating, Ventilation, and Air- Conditioning) system of commercial buildings is a complex system with a large number of dynamically interacting components. In particular, the thermal dynamics of each zone are coupled with those of the neighboring zones. In this paper, we study a multi-agent based approach to model and control commercial building HVAC system for providing grid services. In the multi-agent system (MAS), individual zones are modeled as agents that can communicate, interact, and negotiate with one another to achieve a common objective. We first propose a distributed characterization method on the aggregated airflow (and thus fan power) flexibility that the HVAC system can provide to the ancillary service market. Then, we propose a Nash-bargaining based airflow allocation strategy to track a dispatch signal (that is within the offered flexibility limit) while respecting the preference and flexibility of individual zones. Moreover, we devise a distributed algorithm to obtain the Nash bargaining solution via dual decomposition and average consensus. Numerical simulations illustrate that the proposed distributed protocols are much more scalable than the centralized approaches especially when the system becomes larger and more complex.

Hao, He↗
DOE OSTI2018

Synchronous Condenser Allocation for Improving System Short Circuit Ratio

With converter-based renewable energy sources increasingly integrated into power systems and conventional power plants gradually phased out, future power systems will experience reduced short circuit strength. The deployment of synchronous condensers can serve as a potential solution. This paper presents an optimal synchronous condenser allocation method for improving system short circuit ratio at converter point of common coupling using a modified short circuit analysis approach. The total cost of installing new synchronous condensers is minimized while the system short circuit ratios are maintained above a certain level. The presented method is implemented on the simplified western Danish power system for a future scenario.

24 POWER TRANSMISSION AND DISTRIBUTION↗
DOE OSTI2011

Time Utility Functions for Modeling and Evaluating Resource Allocations in a Heterogeneous Computing System

This study considers a heterogeneous computing system and corresponding workload being investigated by the Extreme Scale Systems Center (ESSC) at Oak Ridge National Laboratory (ORNL). The ESSC is part of a collaborative effort between the Department of Energy (DOE) and the Department of Defense (DoD) to deliver research, tools, software, and technologies that can be integrated, deployed, and used in both DOE and DoD environments. The heterogeneous system and workload described here are representative of a prototypical computing environment being studied as part of this collaboration. Each task can exhibit a time-varying importance or utility to the overall enterprise. In this system, an arriving task has an associated priority and precedence. The priority is used to describe the importance of a task, and precedence is used to describe how soon the task must be executed. These two metrics are combined to create a utility function curve that indicates how valuable it is for the system to complete a task at any given moment. This research focuses on using time-utility functions to generate a metric that can be used to compare the performance of different resource schedulers in a heterogeneous computing system. The contributions of this paper are: (a) a mathematical model of a heterogeneous computing system where tasks arrive dynamically and need to be assigned based on their priority, precedence, utility characteristic class, and task execution type, (b) the use of priority and precedence to generate time-utility functions that describe the value a task has at any given time, (c) the derivation of a metric based on the total utility gained from completing tasks to measure the performance of the computing environment, and (d) a comparison of the performance of resource allocation heuristics in this environment.

99 GENERAL AND MISCELLANEOUS↗
DOE OSTI2012

Global Data Re-allocation via Communication Aggregation in Chapel

Chapel is a parallel programming language designed to improve the productivity and ease of use of conventional and parallel computers. This language currently delivers sub optimal performance when executing codes that perform global data re-allocation operations on distributed memory architectures. This is mainly due to data communication that is done without aggregation (one message for each remote array element). In this work, we analyze Chapel's standard Block and Cyclic distribution modules and optimize the communication routines for array assignments by performing aggregation. Thanks to the expressive power of Chapel, the compiler and runtime have enough information to do communication aggregation without user intervention. The runtime relies on the low-level GAS Net networking layer, whose versions of one-sided bulk put/get routines that support strides are particularly useful for us. Experimental results conducted on Hector (a Cray XE6) and Jaguar (Cray XK6)reveal that the implemented techniques can lead to significant reductions in communication time.

Sanz, Alberto↗
DOE OSTI2019

A Fixed-Flexible BESS Allocation Scheme for Transmission Networks Considering Uncertainties

Battery energy storage systems (BESSs) can play a key role in mitigating the intermittency and uncertainty associated with adding large amounts of renewable energy to the bulk power system (BPS). Two BESS technologies that have gained prominence in this regard are Lithium-ion (LI) BESS and Vanadium redox flow (VRF) BESS. Here, this paper proposes a fixed-flexible BESS allocation scheme that exploits the complementary characteristics of LI and VRF BESSs to attain optimal techno-economic benefits in a wind-integrated BPS. Studies carried out on relatively large transmission networks demonstrate that benefits such as reduction in system operation cost, wind spillage, voltage fluctuations, and discounted payback period, can be realized by using the proposed scheme.

42 ENGINEERING↗
DOE OSTI2025

Metabolic Redox Coupling Controls Methane Production in Permafrost‐Affected Peatlands Through Organic Matter Quality‐Dependent Energy Allocation

ABSTRACT Permafrost thaw represents one of Earth's largest climate feedback risks, potentially releasing vast carbon (C) stores as greenhouse gases (GHG). However, our ability to predict emissions remains limited by poor understanding of how changing organic matter (OM) composition affects microbial carbon processing. We test a metabolism‐centered redox framework, which views microbial processes as coupled oxidative‐reductive reactions, to mechanistically explain how organic matter metabolite quality controls greenhouse gas production in permafrost‐affected peatland ecosystems. Rather than relying solely on geochemical redox measurements, our approach examines how microbes balance electron flow through metabolic pathways. Using active layer peat (9–19 cm) from contrasting environments (bog and fen), we employed multi‐omics approaches, including metabolomics, metagenomics, and metatranscriptomics, to link OM chemistry to microbial function. Our results reveal distinct dissolved organic matter metabolite composition, with fen systems enriched in compounds with higher substrate quality (low molecular weight (MW) sugars with high H:C ratios and low aromaticity) and bog systems dominated by compounds with lower substrate quality (high MW phenols with lower H:C ratios and higher aromaticity). In fen samples, these sugar‐like compounds correlated with higher oxidative metabolism and methanogenesis, supported by increased glycolysis gene expression. Initially, electrons from increased oxidative metabolism were balanced through nitrate and sulfate reduction, but as these electron acceptors were depleted, methanogenesis increased to maintain redox balance. Fen samples showed rapid degradation of both high‐ and low‐substrate‐quality compounds, suggesting sufficient energy for efficient C cycling. Conversely, bog samples exhibited more polyphenolic compounds, lower glycolysis activity, and higher stress‐related gene expression, suggesting energy was diverted towards cell maintenance under acidic conditions rather than C processing. This approach suggests that predicting greenhouse gas emissions requires an understanding of how organic matter quality shapes microbial energy allocation strategies, providing a mechanistic framework for improving emission predictions from permafrost‐affected peatlands and similar ecosystems.

Biodiversity & Conservation↗
DOE OSTI2020

Conifers depend on established roots during drought: results from a coupled model of carbon allocation and hydraulics

Trees may survive prolonged droughts by shifting water uptake to reliable water sources, but it is unknown if the dominant mechanism involves activating existing roots or growing new roots during drought, or some combination of the two. To gain mechanistic insights on this unknown, a dynamic root-hydraulic modeling framework was developed that set up a feedback between hydraulic controls over carbon allocation and the role of root growth on soil–plant hydraulics. The new model was tested using a 5 yr drought/heat field experiment on an established pi~non-juniper stand with root access to bedrock groundwater. Owing to the high carbon cost per unit root area, modeled trees initialized without adequate bedrock groundwater access experienced potentially lethal declines in water potential, while all of the experimental trees maintained nonlethal water potentials. Simulated trees were unable to grow roots rapidly enough to mediate the hydraulic stress, particularly during warm droughts. Alternatively, modeled trees initiated with root access to bedrock groundwater matched the hydraulics of the experimental trees by increasing their water uptake from bedrock groundwater when soil layers dried out. Therefore, the modeling framework identified a critical mechanism for drought response that required trees to shift water uptake among existing roots rather than growing new roots.

Mackay, D. Scott↗
DOE OSTI2014

TH-E-17A-05: Optimizing Four Dimensional Cone Beam Computed Tomography Projection Allocation to Respiratory Bins

Purpose: Four dimensional cone beam computed tomography (4DCBCT) is an emerging image guidance strategy but it can suffer from poor image quality. To avoid repeating scans it is beneficial to make the best use of the imaging data obtained. For conventional 4DCBCT the location and size of respiratory bins is fixed and projections are allocated to the respiratory bin within which it falls. Strictly adhering to this rule is unnecessary and can compromise image quality. In this study we optimize the size and location of respiratory bins and allow projections to be sourced from adjacent phases of the respiratory cycle. Methods: A mathematical optimization framework using mixed integer quadratic programming has been developed that determines when to source projections from adjacent respiratory bins and optimizes the size and location of the bins. The method, which we will call projection sharing, runs in under 2 seconds of CPU time. Five 4DCBCT datasets of stage III-IV lung cancer patients were used to test the algorithm. The standard deviation of the angular separation between projections (SD-A) and the standard deviation in the volume of the reconstructed fiducial gold coil (SD-V) were used as proxies to measure streaking artefacts and motion blur respectively. Results: The SD-A using displacement binning and projection sharing was 30%–50% smaller than conventional phase based binning and 59%–76% smaller than conventional displacement binning indicating more uniformly spaced projections and fewer streaking artefacts. The SD-V was 20–90% smaller when using projection sharing than using conventional phase based binning suggesting more uniform marker segmentation and less motion blur. Conclusion: Image quality was visibly and significantly improved with projection sharing. Projection sharing does not require any modifications to existing hardware and offers a more robust replacement to phase based binning, or, an option if phase based reconstruction is not of a suitable quality. This project is supported by an NHMRC Australia Fellowship and NHMRC project grant number 1034060.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2011

Myrmics Memory Allocator

MMA is a stand-alone memory management system for MPI clusters. It implements a shared Partitioned Global Address Space, where multiple MPI processes request objects from the allocator and the latter provides them with system-wide unique memory addresses for each object. It provides applications with an intuitive way of managing the memory system in a unified way, thus enabling easier writing of irregular application code.

Lymperis, S.↗
DOE OSTI2022

Optimal resource allocation for flexible-grid entanglement distribution networks

We use a genetic algorithm (GA) as a design aid for determining the optimal provisioning of entangled photon spectrum in flex-grid quantum networks with arbitrary numbers of channels and users. After introducing a general model for entanglement distribution based on frequency-polarization hyperentangled biphotons, we derive upper bounds on fidelity and entangled bit rate for networks comprising one-to-one user connections. Simple conditions based on user detector quality and link efficiencies are found that determine whether entanglement is possible. We successfully apply a GA to find optimal resource allocations in four different representative network scenarios and validate features of our model experimentally in a quantum local area network in deployed fiber. Our results show promise for the rapid design of large-scale entanglement distribution networks.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2021

Computation of condition-dependent proteome allocation reveals variability in the macro and micro nutrient requirements for growth

Sustaining a robust metabolic network requires a balanced and fully functioning proteome. In addition to amino acids, many enzymes require cofactors (coenzymes and engrafted prosthetic groups) to function properly. Extensively validated resource allocation models, such as genome-scale models of metabolism and gene expression (ME-models), have the ability to compute an optimal proteome composition underlying a metabolic phenotype, including the provision of all required cofactors. Here we apply the ME-model for Escherichia coli K-12 MG1655 to computationally examine how environmental conditions change the proteome and its accompanying cofactor usage. We found that: (1) The cofactor requirements computed by the ME-model mostly agree with the standard biomass objective function used in models of metabolism alone (M-models); (2) ME-model computations reveal non-intuitive variability in cofactor use under different growth conditions; (3) An analysis of ME-model predicted protein use in aerobic and anaerobic conditions suggests an enrichment in the use of peroxyl scavenging acids in the proteins used to sustain aerobic growth; (4) The ME-model could describe how limitation in key protein components affect the metabolic state of E . coli . Genome-scale models have thus reached a level of sophistication where they reveal intricate properties of functional proteomes and how they support different E . coli lifestyles.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2023

Latent Dirichlet Allocation modeling of environmental microbiomes

Interactions between stressed organisms and their microbiome environments may provide new routes for understanding and controlling biological systems. However, microbiomes are a form of high-dimensional data, with thousands of taxa present in any given sample, which makes untangling the interaction between an organism and its microbial environment a challenge. Here we apply Latent Dirichlet Allocation (LDA), a technique for language modeling, which decomposes the microbial communities into a set of topics (non-mutually-exclusive sub-communities) that compactly represent the distribution of full communities. LDA provides a lens into the microbiome at broad and fine-grained taxonomic levels, which we show on two datasets. In the first dataset, from the literature, we show how LDA topics succinctly recapitulate many results from a previous study on diseased coral species. We then apply LDA to a new dataset of maize soil microbiomes under drought, and find a large number of significant associations between the microbiome topics and plant traits as well as associations between the microbiome and the experimental factors, e.g. watering level. This yields new information on the plant-microbial interactions in maize and shows that LDA technique is useful for studying the coupling between microbiomes and stressed organisms.

59 BASIC BIOLOGICAL SCIENCES↗