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DOE OSTI2018

Room-Temperature Phototransistor with Negative Photoresponsivity of 10 8 A W -1 Using Fullerene-Sensitized Aligned Carbon Nanotubes

Detection of low intensity light down to a few photons requires photodetectors with high gain. In this paper, a new photodetector is reported based on C 60 -sensitized aligned carbon nanotube (CNT) transistors with an extremely high responsivity of 10 8 A W -1 (gain > 10 8 ) in the ultraviolet and visible range, and 720 A W -1 (gain = 940) in the infrared range. In contrast to most sensitized phototransistors that operate on the photogating effect, the new photodetector operates on the modulation of the electrons scattering in the CNTs, leading to negative photoconductivity. Comparison with similar photodetectors using random CNT networks shows the benefit of using aligned CNTs. Finally, at room temperature, the aligned CNT photodetectors are demonstrated to detect a few tens of photons per CNT.

47 OTHER INSTRUMENTATION↗

DOE OSTI2024

High-strength 3D printed poly(lactic acid) composites reinforced by shear-aligned polymer-grafted cellulose nanofibrils

This work demonstrates the application of pilot-scale surface functionalization of cellulose nanofibrils (CNFs) by aqueous grafting-through polymerization and subsequent spray drying in 3D printed poly(lactic acid) (PLA) composites. Grafted-CNF composites attain an ultimate tensile strength of 88 ± 3 MPa and a tensile modulus of elasticity of 7.8 ± 1.3 GPa in the printing direction at 20 wt% reinforcement loading. These increases, 42% and 139% over neat PLA, respectively, represent the strongest reported 3D printed CNF/PLA composite to date in the literature. The mechanisms behind these improvements are investigated by comparisons to neat PLA and unmodified spray-dried CNF/PLA controls using melt rheology, dynamic mechanical analysis, and assessment of the reinforcement dispersion. These experiments reveal that improved network formation and shear-induced alignment of the grafted CNFs facilitate the remarkable tensile properties of the printed composites.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2022

Do Neural Networks Trained with Topological Features Learn Different Internal Representations?

There is a growing body of work that leverages features extracted via topological data analysis to train machine learning models. While this field, sometimes known as topological machine learning (TML), has seen some notable successes, an understanding of how the process of learning from topological features differs from the process of learning from raw data is still limited. In this work, we begin to address one component of this larger issue by asking whether a model trained with topological features learns internal representations of data that are fundamentally different than those learned by a model trained with the original raw data. To quantify ``different'', we exploit two popular metrics that can be used to measure the similarity of the hidden representations of data within neural networks, neural stitching and centered kernel alignment. From these we draw a range of conclusions about how training with topological features does and does not change the representations that a model learns. Perhaps unsurprisingly, we find that structurally, the hidden representations of models trained and evaluated on topological features differ substantially compared to those trained and evaluated on the corresponding raw data. On the other hand, our experiments show that in some cases, these representations can be reconciled (at least to the degree required to solve the corresponding task) using a simple affine transformation. We conjecture that this means that neural networks trained on raw data may extract some limited topological features in the process of making predictions.

McGuire, Sarah L.↗

NASA NTRS2012

A Human View Model for Socio-Technical Interactions

The Human View was developed as an additional architectural viewpoint to focus on the human part of a system. The Human View can be used to collect and organize data in order to understand how human operators interact and impact the other elements of a system. This framework can also be used to develop a model to describe how humans interact with each other in network enabled systems. These socio-technical interactions form the foundation of the emerging area of Human Interoperability. Human Interoperability strives to understand the relationships required between human operators that impact collaboration across networked environments, including the effect of belonging to different organizations. By applying organizational relationship concepts from network theory to the Human View elements, and aligning these relationships with a model developed to identify layers of coalition interoperability, the conditions for different levels for Human Interoperability for network enabled systems can be identified. These requirements can then be captured in the Human View products to improve the overall network enabled system.

Handley, Holly A.↗

DOE OSTI2024

Exchangeable Liquid Crystalline Elastomers: Enabling Rapid Processing and Enhanced Actuation Stability through On-Demand Deactivation

Exchangeable liquid crystalline elastomers (xLCEs) bearing dynamic covalent bonds are promising candidates for soft actuators due to their unique capability to adjust both network structure and liquid crystalline (LC) alignment after polymerization. While current xLCEs with low exchange temperatures are convenient for processing, they suffer from issues such as creep and loss of LC alignment during repeated thermal actuation. Herein, we present an effective solution using dynamic anhydride chemistry within a thiol-ene-based xLCE. This approach enables a catalyst-free, low-temperature bond exchange of the xLCE after polymerization, allowing for the adjustment of LC orientation under mild conditions. More importantly, it enables on-demand deactivation of the bond exchange via anhydride hydrolysis, effectively eliminating creep and enhancing actuation stability for over 100 cycles. Furthermore, the hydrolysis process results in the formation of carboxylic acid groups, which can be converted into carboxylates via alkali treatment, thereby providing the xLCE with humidity responsiveness. Finally, these findings highlight the use of dynamic anhydride bonds in the fabrication and optimization of xLCEs with enhanced durability and functionality, which is expected to facilitate significant advancements in their applications in soft actuators and robotics.

36 MATERIALS SCIENCE↗

NASA NTRS1984

Plasma and magnetospheric research

Research activities on the following topics were summarized: (1) software for the Space Plasma computer Analysis Network (SPAN), (2) plasmaspheric field-aligned temperature gradients, (3) the shift in spacecraft potential as a function of plasma density, (4) plasma flow, (5) the Fabry-Perot interferometer, and (6) the Differential Ion Flux Probe (DIFP).

Comfort, R. H.↗

NASA NTRS1994

Earth Rotation Parameters from DSN VLBI: 1994

In this report, Earth Rotation Parameter (ERP) estimates ahve been obtained from an analysis of Deep Space Network (DSN) VLBI data that directly aligns its celestial and terrestrial reference frames with those of the International Earth Rotation Service (IERS).

Earth rotation TEMPO↗

DOE OSTI2024

Unifying thermochemistry concepts in computational heterogeneous catalysis

Thermophysical properties of adsorbates and gas-phase species define the free energy landscape of heterogeneously catalyzed processes and are pivotal for an atomistic understanding of the catalyst performance. These thermophysical properties, such as the free energy or the enthalpy, are typically derived from density functional theory (DFT) calculations. Enthalpies are species-interdependent properties that are only meaningful when referenced to other species. The widespread use of DFT has led to a proliferation of new energetic data in the literature and databases. However, there is a lack of consistency in how DFT data is referenced and how the associated enthalpies or free energies are stored and reported, leading to challenges in reproducing or utilizing the results of prior work. Additionally, DFT suffers from exchange–correlation errors that often require corrections to align the data with other global thermochemical networks, which are not always clearly documented or explained. In this review, we introduce a set of consistent terminology and definitions, review existing approaches, and unify the techniques using the framework of linear algebra. This set of terminology and tools facilitates the correction and alignment of energies between different data formats and sources, promoting the sharing and reuse of ab initio data. Standardization of thermochemistry concepts in computational heterogeneous catalysis reduces computational cost and enhances fundamental understanding of catalytic processes, which will accelerate the computational design of optimally performing catalysts.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2023

National Solar Jobs Accelerator (Final Technical Report (FTR))

The aptitudes and experiences gained through military service—such as dynamic leadership, teamwork and critical thinking skills, technical specialization, and a mission-completion work ethic—make veterans exceptional candidates for a wide range of solar energy careers. The solar industry offers a highly collaborative and purpose-driven work environment that resonates with service members and veterans looking to rise to their next challenge, and solar employers are eager to tap into this valuable talent pool. From October 2019 - February 2023, The National Solar Jobs Accelerator (publicly the Solar Ready Vets Network TM (SRV Network; SRVN)) enhanced and streamlined options for military service members and veterans to pursue solar training, certification, and employment, while advancing solar employers’ efforts and capacity to invest in military talent as part of a long-term workforce development strategy. The SRVN was led by the Interstate Renewable Energy Council (IREC) in partnership with the Solar Energy Industries Association (SEIA), the US Chamber of Commerce Foundation’s Hiring Our Heroes program (HOH) and the North American Board of Certified Energy Practitioners (NABCEP). Through several direct-impact and indirect, high-impact capacity building initiatives aligned with six key objectives, the SRV Network strengthened solar career pathways, and promoted increased representation of military talent across all levels and sectors of the solar workforce. A work-based learning Corporate Fellowship model connected transitioning service members with on-the-job experience in leadership roles with solar employers nationwide. The project advanced broader veteran recruitment and talent development by expanding GI Bill eligibility and streamlining veterans’ pathways for solar training and credentialing, supported direct connections to jobs with top solar employers, and led coordination among key education and industry partners to advance registered apprenticeships aligned with solar career pathways. To ensure that the project best served the needs of all stakeholders, an Advisory Committee of military-connected solar professionals, solar employers, and training providers met biannually to guide project activities and sustainability plans. The project team engaged the broader “SRV Network” (comprised of over 2,000 veterans, employers and training organizations) through regular newsletters and targeted outreach to share resources, hiring fairs, webinars, and other opportunities for engagement. The work done under this award builds on the previous iterations of the Department of Energy’s Solar Ready Vets ® program. As the solar industry continues to grow rapidly over the next decade, the military community will continue to be a highly valuable source of talent. The relationships established and work accomplished through this project will have an enduring positive impact well beyond the funding period.

14 SOLAR ENERGY↗

NASA NTRS1980

TRISCAN: A method of precision antenna positioning

The triangle (antenna) scan (TRISCAN) is a method of improving the alignment between the boresight of the Deep Space Network antennas and a particular target, spacecraft, or radio source (star). For stars, the method works in conjunction with the noise adding radiometer and the antenna pointing system to form estimates of the alignment offset coordinates. This information is then used to position the antenna for improved target alignment. A comparison with CONSCAN is included since a CONSCAN study led to TRISCAN development.

Bunce, R. C.↗

NASA NTRS1989

Method and apparatus for disabling an echo canceller on a digital telecommunications network

A method and apparatus for disabling an echo canceller in a framed digital network from a remote terminal that is copuled to the network through an unframed data link. Control is effected by sending N different bit sequences from the remote terminal, where N is the number of different framing alignments that may be imposed on the unframed data by the network. The different sequences are chosen so that one will be framed by the network as the requisite control tone regardless of which framing alignment is actually imposed.

Schroeder, George L.↗

DOE OSTI2025

Demand Response in Residential Energy Code: Technical Brief

As buildings account for over 75% of U.S. electricity use, effectively managing their loads can greatly facilitate the transition towards a clean, reliable grid. Grid-interactive efficient buildings (GEBs) combine efficiency and demand flexibility with smart technologies and communication to provide occupant comfort and productivity while serving the grid as a distributed energy resource (DER). In turn, GEBs can play a key role in ensuring access to an affordable, reliable, sustainable, and modern U.S. electric power system. Their national adoption could provide $\$$100-200 billion in U.S. electric power system cost savings over the next two decades. The associated reduction in CO 2 emissions is estimated at 6% per year by 2030 (DOE 2021). Building codes represent standard design practice in the construction industry and continually evolve to include advanced technologies and innovative practices. Historically, national model energy codes establish minimum efficiency requirements for new construction (ICC 2020). Expanding codes to support GEB capabilities is a pivotal step towards realizing demand flexibility in support of a clean grid by addressing capabilities to improve interoperability between smart building systems, the grid, and renewable energy resources. Realizing GEBs requires buildings with automated demand response (DR) capabilities that enable standardized communication with or control of, subject to explicit consumer consent, energy smart appliances or home energy management systems. This is achieved through direct or indirect (i.e., via an aggregator) communication between appliances and the electric grid. Energy codes can also support DR communication standardization and advance the deployment of building-integrated DERs such as energy storage, generation, and electric vehicles (EVs). Incorporating automated DR capabilities in energy codes provides many benefits to the consumers. Specifically, it aligns building electric load demand with intermittent renewable energy source availability, decreases peak load on the electric grid, allows buildings to respond to utility price signals, supports electrical network reliability and market growth of products and processes aligned with clean economic growth. The incorporation of DR into the model residential energy codes was considered for both the 2021 and 2024 International Energy Conservation Code (IECC) code development cycles. The approved DR measures in the 2021 cycle were removed in response to appeals (ICC 2020). Updated language was presented for consideration again for the 2024 IECC, where it was negotiated and again approved, and again removed in response to appeals (ICC 2024). This resulted in many sections, including sections on demand responsive controls, being moved to the credits options or an appendix as a voluntary application. This technical brief updates the proposed DR components such that they can be considered by states and local governments for direct incorporation into their codes, as well as for future IECC energy code development. The proposal refinements are intended to support consistency in approach and provide a degree of certainty for building owners, designers, contractors, manufacturers, and building and fire safety professionals. The scope of this technical brief includes three strategies for DR in residential buildings: 1) smart thermostats with demand-responsive control, 2) electric water heating incorporating demand-responsive controls and communication and 3) grid Integrated solar and energy storage systems.

2021 IECC↗

DOE OSTI2015

Consideration for the application of artificial neural networks to criticality code validation - 14270

The artificial neural network (ANN) is a consistent example for non-parametric parameter estimation and regression, with powerful universal approximation properties, that is distribution independent. ANN application to criticality code validation centers on aligning mathematical relationships between code validation parameters and neural network prediction for those parameter values. Two specific goals are: (1) an appropriate ANN architecture to determine validation parameter values, and (2) bootstrapping individual ANNs as a 'Prediction Interval' (PI) technique to estimate the Calculation Margin and Upper Subcritical Limit. The individual ANN workflow is segregated into Training, Validation (network), and Testing Sets, where the network predictive properties and performance are expressed in the latter set. The Bootstrap ANN replicates a large set of individual ANNs (taken from the original data distribution) where (1-α/2)100% PI estimates can be determined. Results from the ANN method are compared to a variety of validation examples: a 'toy example' from ANSI/ANS-8.24, Appendix D, a variety of methods noted in a Nuclear Criticality Safety Division 2009 paper, and several validation campaigns for highly enriched uranium and plutonium systems. The ANN method is robust and can be applied to single or multivariate inputs. A trained ANN can provide both an average estimate (e.g., single value) and an estimate over a range of independent variable values where the kUSL can be formed in a regression relationship suitable for extrapolation. The input dependence has been tested, ranging from 15 to over 400 sample size distributions. An expanded Shapiro-Wilk test (for sample sizes up to 5000) was implemented to confirm that the ANN method is transparent to distribution function. The Principle Component Analysis method was applied as an input preprocessing step embedded within the ANN in order to reduce dimensionality and correlation for multivariable inputs. This can potentially aid in determining accurate margins over applying arbitrary margins. The automatic optimization of the Bootstrap ANN PI is left for future consideration. (authors)

42 ENGINEERING↗

NASA NTRS2002

Origin of Magnetic Lineations on Mars

The magnetic lineations discovered by MGS (Mars Global Surveyor) have been considered to be evidence of early plate tectonics on Mars. However, the lineations approximately follow lines of latitude, i.e., small circles. This presents significant geometrical problems for plate-like spreading, particularly at high latitudes. However, the sublatitudinal orientation of the lineations is consistent with meridianal extension and perhaps limited crustal spreading due to a stress event centered near the geographic pole. We hypothesize that this event was the early formation of the crustal dichotomy through mantle-convective processes. This could have taken the form of a southern megaplume that formed the thick highlands crust or as subduction or downwelling in the north. Both would result in tensional stresses in the south that would form extensional fractures perpendicular to the CM-CF (center-of-mass/center-of-gravity) offset. The observed magnitude and distribution of magnetization indicates that crustal intrusion associated with this major mantle-convective event resulted in approximately 1000 km of extension in the Southern highlands. Subsequent spin-axis reorientation due to loss of crust in the north or gain of crust in the south brought the CM-CF offset into its present N-S alignment. A portion of the ancient valley networks observed in the southern highlands are spatially associated with crustal magnetism and are quantitatively shown to be consistent with hydrothermal discharge over crustal intrusions.

Grimm, Robert E.↗

NASA NTRS2013

Assessment of Ice Shape Roughness Using a Self-Orgainizing Map Approach

Self-organizing maps are neural-network techniques for representing noisy, multidimensional data aligned along a lower-dimensional and nonlinear manifold. For a large set of noisy data, each element of a finite set of codebook vectors is iteratively moved in the direction of the data closest to the winner codebook vector. Through successive iterations, the codebook vectors begin to align with the trends of the higher-dimensional data. Prior investigations of ice shapes have focused on using self-organizing maps to characterize mean ice forms. The Icing Research Branch has recently acquired a high resolution three dimensional scanner system capable of resolving ice shape surface roughness. A method is presented for the evaluation of surface roughness variations using high-resolution surface scans based on a self-organizing map representation of the mean ice shape. The new method is demonstrated for 1) an 18-in. NACA 23012 airfoil 2 AOA just after the initial ice coverage of the leading 5 of the suction surface of the airfoil, 2) a 21-in. NACA 0012 at 0AOA following coverage of the leading 10 of the airfoil surface, and 3) a cold-soaked 21-in.NACA 0012 airfoil without ice. The SOM method resulted in descriptions of the statistical coverage limits and a quantitative representation of early stages of ice roughness formation on the airfoils. Limitations of the SOM method are explored, and the uncertainty limits of the method are investigated using the non-iced NACA 0012 airfoil measurements.

Icing↗

DOE OSTI2016

Composition and Realization of Source-to-Sink High-Performance Flows: File Systems, Storage, Hosts, LAN and WAN

A number of Department of Energy (DOE) science applications, involving exascale computing systems and large experimental facilities, are expected to generate large volumes of data, in the range of petabytes to exabytes, which will be transported over wide-area networks for the purpose of storage, visualization, and analysis. To support such capabilities, significant progress has been made in various components including the deployment of 100 Gbps networks with future 1 Tbps bandwidth, increases in end-host capabilities with multiple cores and buses, capacity improvements in large disk arrays, and deployment of parallel file systems such as Lustre and GPFS. High-performance source-to-sink data flows must be composed of these component systems, which requires significant optimizations of the storage-to-host data and execution paths to match the edge and long-haul network connections. In particular, end systems are currently supported by 10-40 Gbps Network Interface Cards (NIC) and 8-32 Gbps storage Host Channel Adapters (HCAs), which carry the individual flows that collectively must reach network speeds of 100 Gbps and higher. Indeed, such data flows must be synthesized using multicore, multibus hosts connected to high-performance storage systems on one side and to the network on the other side. Current experimental results show that the constituent flows must be optimally composed and preserved from storage systems, across the hosts and the networks with minimal interference. Furthermore, such a capability must be made available transparently to the science users without placing undue demands on them to account for the details of underlying systems and networks. And, this task is expected to become even more complex in the future due to the increasing sophistication of hosts, storage systems, and networks that constitute the high-performance flows. The objectives of this proposal are to (1) develop and test the component technologies and their synthesis methods to achieve source-to-sink high-performance flows, and (2) develop tools that provide these capabilities through simple interfaces to users and applications. In terms of the former, we propose to develop (1) optimization methods that align and transition multiple storage flows to multiple network flows on multicore, multibus hosts; and (2) edge and long-haul network path realization and maintenance using advanced provisioning methods including OSCARS and OpenFlow. We also propose synthesis methods that combine these individual technologies to compose high-performance flows using a collection of constituent storage-network flows, and realize them across the storage and local network connections as well as long-haul connections. We propose to develop automated user tools that profile the hosts, storage systems, and network connections; compose the source-to-sink complex flows; and set up and maintain the needed network connections. These solutions will be tested using (1) 100 Gbps connection(s) between Oak Ridge National Laboratory (ORNL) and Argonne National Laboratory (ANL) with storage systems supported by Lustre and GPFS file systems with an asymmetric connection to University of Memphis (UM); (2) ORNL testbed with multicore and multibus hosts, switches with OpenFlow capabilities, and network emulators; and (3) 100 Gbps connections from ESnet and their Openflow testbed, and other experimental connections. This proposal brings together the expertise and facilities of the two national laboratories, ORNL and ANL, and UM. It also represents a collaboration between DOE and the Department of Defense (DOD) projects at ORNL by sharing technical expertise and personnel costs, and leveraging the existing DOD Extreme Scale Systems Center (ESSC) facilities at ORNL.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2017

Final Project Report: Composition and Realization of Source-to-Sink High-Performance Flows: File Systems, Storage, Hosts, LAN and WAN

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2024

Dark Energy Survey Year 3 results: Simulation-based cosmological inference with wavelet harmonics, scattering transforms, and moments of weak lensing mass maps. Validation on simulations

Beyond-two-point statistics contain additional information on cosmological as well as astrophysical and observational (systematics) parameters. In this methodology paper we provide an end-to-end simulationbased analysis of a set of Gaussian and non-Gaussian weak lensing statistics using detailed mock catalogs of the Dark Energy Survey (DES). Here, we implement: 1) second and third moments; 2) wavelet phase harmonics (WPH); 3) the scattering transform (ST). Our analysis is fully based on simulations, it spans a space of seven $νw$CDM cosmological parameters, and it forward models the most relevant sources of systematics of the data (masks, noise variations, clustering of the sources, intrinsic alignments, and shear and redshift calibration). We implement a neural network compression of the summary statistics, and we estimate the parameter posteriors using a likelihood-free-inference approach. We validate the pipeline extensively, and we find that WPH exhibits the strongest performance when combined with second moments, followed by ST, and then by third moments. The combination of all the different statistics further enhances constraints with respect to second moments, up to 25 percent, 15 percent, and 90 percent for S 8 , Ω m , and the figure-of-merit FoM S8;Ωm , respectively. We further find that non-Gaussian statistics improve constraints on w and on the amplitude of intrinsic alignment with respect to second moments constraints. The methodological advances presented here are suitable for application to Stage IV surveys from Euclid, Rubin-LSST, and Roman with additional validation on mock catalogs for each survey. In a companion paper we present an application to DES Year 3 data.

79 ASTRONOMY AND ASTROPHYSICS↗