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All sources NASA NTRS DOE OSTI

DOE OSTI2018

Broadband infrared binary-pattern metasurface absorbers with micro-genetic algorithm optimization

Broadband binary-pattern metasurface absorbers are designed and demonstrated in the mid-infrared wavelength range through the micro-genetic algorithm. The tungsten-based metasurface absorbers with the optimized binary-pattern nanostructures exhibit broadband near-perfect absorption due to the multiple plasmonic resonances supported within the unit cell. Furthermore, the influence of minor pixel modifications in the optimized binary-pattern nanostructures on the absorption performance is investigated in the experiment. This Letter presents a promising approach to design and optimize complex optical nanostructures with the desired properties for metamaterial and metasurface applications.

42 ENGINEERING↗

DOE OSTI2024

ABC -Auxetics: An Implicit Design Approach for Negative Poisson's Ratio Materials

A novel methodology is introduced for designing auxetic (negative Poisson's ratio) structures based on topological principles and is demonstrated by investigating a new class of auxetics based on two-dimensional (2D) textile weave patterns. Conventional methodology for designing auxetic materials typically involves determining a single deformable block (a unit cell) of material whose shape results in auxetic behavior. Consequently, patterning such a unit cell in a 2D (or 3D) domain results in a larger structure that exhibits overall auxetic behavior. Such an approach naturally relies on some prior intuition and experience regarding which unit cells may be auxetic. Second, tuning the properties of the resulting structures is typically limited to parametric variations of the geometry of a specific type of unit cell. Thus, most of the currently known auxetic structures belong to a selected few classes of unit cell geometries that are explicitly defined in accordance with a specified topological (i.e., grid structure). Herein, a new class of auxetic structures is demonstrated that, while periodic, can be generated implicitly, i.e., without reference to a specific unit cell design. The approach leverages weave-based parameters (A–B–C), resulting in a rich design space for auxetics that is previously unexplored.

36 MATERIALS SCIENCE↗

DOE OSTI2024

Scalable Nanoimprint Manufacturing of Functional Multilayer Metasurface Devices

Optical metasurfaces, consisting of subwavelength-scale meta-atom arrays, hold great promise of overcoming the fundamental limitations of conventional optics. Due to their structural complexity, metasurfaces usually require high-resolution yet slow and expensive fabrication processes. Here, using a metasurface polarimetric imaging device as an example, the photonic structures and the Nanoimprint lithography (NIL) processes are designed, creating two separate NIL molds over a patterning area of > 20 mm2 with designed Moiré alignment markers by electron-beam writing, and further subsequently integrate silicon and aluminum metasurface structures on a chip. Uniquely, the silicon and aluminum metasurfaces are fabricated by using the nanolithography and 3D pattern-transfer capabilities of NIL, respectively, achieving nanometer-scale linewidth uniformity, sub-200 nm translational overlay accuracy, and <0.017 rotational alignment error while significantly reducing fabrication complexity and surface roughness. Here, the micro-sized multilayer metasurfaces have high circular polarization extinction ratios as large as ≈20 and ≈80 in blue and red wavelengths. Further, the metasurface chip-integrated CMOS imager demonstrates high accuracy in broad-band, full Stokes parameter analysis in the visible wavelength ranges and single-shot polarimetric imaging. This novel, NIL-based, multilayered nanomanufacturing approach is applicable to the scalable production of large-area functional structures for ultra-compact optic, electronic, and quantum devices.

36 MATERIALS SCIENCE↗

DOE OSTI2015

Design and testing of the first 2D Prototype Vertically Integrated Pattern Recognition Associative Memory

An associative memory-based track finding approach has been proposed for a Level 1 tracking trigger to cope with increasing luminosities at the LHC. The associative memory uses a massively parallel architecture to tackle the intrinsically complex combinatorics of track finding algorithms, thus avoiding the typical power law dependence of execution time on occupancy and solving the pattern recognition in times roughly proportional to the number of hits. This is of crucial importance given the large occupancies typical of hadronic collisions. The design of an associative memory system capable of dealing with the complexity of HL-LHC collisions and with the short latency required by Level 1 triggering poses significant, as yet unsolved, technical challenges. For this reason, an aggressive R&D program has been launched at Fermilab to advance state of-the-art associative memory technology, the so called VIPRAM (Vertically Integrated Pattern Recognition Associative Memory) project. The VIPRAM leverages emerging 3D vertical integration technology to build faster and denser Associative Memory devices. The first step is to implement in conventional VLSI the associative memory building blocks that can be used in 3D stacking, in other words, the building blocks are laid out as if it is a 3D design. In this paper, we report on the first successful implementation of a 2D VIPRAM demonstrator chip (protoVIPRAM00). The results show that these building blocks are ready for 3D stacking.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

DOE OSTI2014

Radio-frequency sheaths physics: Experimental characterization on Tore Supra and related self-consistent modeling

During the 2011 experimental campaign, one of the three ion cyclotron resonance heating (ICRH) antennas in the Tore Supra tokamak was equipped with a new type of Faraday screen (FS). The new design aimed at minimizing the integrated parallel electric field over long field lines as well as increasing the heat exhaust capability of the actively cooled screen. It proved to be inefficient for attenuating the radio-frequency (RF)-sheaths on the screen itself on the contrary to the heat exhaust concept that allowed operation despite higher heat fluxes on the antenna. In parallel, a new approach has been proposed to model self-consistently RF sheaths: the SSWICH (Self-consistent Sheaths and Waves for IC Heating) code. Simulations results from SSWICH coupled with the TOPICA antenna code were able to reproduce the difference between the two FS designs and part of the spatial pattern of heat loads and Langmuir probe floating potential. The poloidal pattern is a reliable result that mainly depends on the electrical design of the antenna while the radial pattern is on the contrary highly sensitive to loosely constrained parameters such as perpendicular conductivity that generates a DC current circulation from the private region inside the antenna limiters to the free scrape off layer outside these limiters. Moreover, the cantilevered bars seem to be the element in the screen design that enhanced the plasma potential.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

DOE OSTI2022

Multimodal sensor fusion framework for residential building occupancy detection

For several years now, smart building energy systems have been a research area of intensive activity. In light of the increasing need for sustainable buildings and energy systems, this trend motivates an increasing need for a solution to reduce carbon dioxide emissions and improve energy efficiency. This work proposes a high-performing and transferable occupancy detection framework that combines sensor data from different data modalities, including time series environmental data (temperature, humidity, and illuminance), image data, and acoustic energy data using ensemble method. To draw out the best prediction performance in each modality, the proposed framework was developed, including various models that were designed to learn the occupancy patterns reflected in the physical data streams. To tackle the time series environmental data, we designed two variants of an occupancy detection spatiotemporal pattern network (Occ-STPN) that performs both feature level and decision level fusion, respectively. We also propose a new metric; the fading memory mean square error (FMMSE), that provides a fair evaluation and penalization of delayed occupancy predictions. Multiple open-sourced datasets, including the Electricity Consumption and Occupancy and the University of California, Irvine's (UCI) building occupancy detection dataset, along with our own real data collected from six different houses, were used to validate the algorithms' performance. The experimental results presented herein break down the performance for each sensing modality, and a detailed analysis of the performance is also discussed.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

DOE OSTI2024

Qualifying the Instrument Thimble 11 Test Position in the Advanced Test Reactor Critical

The Advanced Test Reactor (ATR) is a versatile nuclear research reactor located at the Idaho National Laboratory (INL) in Eastern Idaho, United States of America. It is one of the most powerful and flexible research reactors in the world and is primarily used for materials testing, isotope production and basic nuclear science research. The ATR is a light-water-cooled, beryllium-moderated reactor with a nominal thermal power capacity of 250 MW utilizing specially designed fuel, arranged in a serpentine pattern to create 9 flux traps. The special design of ATR allows for the neutron flux within each of the flux traps providing flexibility for experiments, programs and allowing experiments with different dose requirements to be irradiated simultaneously. The Advance Test Reactor Critical (ATRC) is a full-scale replica of the ATR core but is housed in a pool instead of a pressure vessel. ATRC is usually operated at less than 600 watts [1]. There are 12 dry instrument thimbles located around the outside of the core tank where a variety of measurement equipment is housed to facilitate reactor operations. Currently Instrument Thimble 11 (IT-11) is not utilized in ATR or ATRC. A range of measurements is ongoing to qualify IT-11 as a test platform for nuclear instrumentation research, development and further experimentation.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

DOE OSTI2024

Initial Findings in Qualifying the Instrument Thimble 11 Position in the Advanced Test Reactor Critical

46 - INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AN↗

DOE OSTI2021

Isotopic and Fuel Lattice Parameter Trends in Extended Enrichment and Higher Burnup LWR Fuel, Volume II: BWR

Commercial light water reactor (LWR) operators and fuel vendors in the United States are pursuing changes to nuclear fuel that include extended enrichment (EE) and accident-tolerant fuel (ATF) designs to further improve reactor safety and plant economics. Extended fuel enrichments above 5% 235 U pin enrichment and up to 10% 235 U are a subset of high assay low-enriched uranium (HALEU) that may be deployed in commercial US LWRs in the near term. ATF features, such as cladding coatings or alternative cladding materials, are designed to improve fuel system performance under accident conditions. One goal of EE is to improve fuel cycle economy by enabling fuel to be depleted to higher burnup than the typical current limits (62 gigawatt-days per metric ton of uranium [GWd/MTU]). Adoption of EE, ATF, and high burnup (HBU) fuels in the US commercial fleet requires a clear understanding of the effects on core physics parameters and used fuel isotopic content, as well as confidence in the accuracy of computer code predictions over an expanded range of materials, enrichment, and burnup. A thorough understanding of the applicability and adequacy of benchmark data (e.g., criticality, decay heat, isotopic content) for computer code validation is necessary to ensure that appropriate safety margins are maintained. As part of the US Nuclear Regulatory Commission (NRC) agreement number 31310019N0008, “SCALE Code Development, Assessment and Maintenance,” the effects of EE, ATF, and HBU are being assessed for selected representative LWR fuel designs. The project is divided into phases, and this report summarizes the findings of the Phase 1 work, which focuses on lattice physics parameter and used fuel isotopic changes for a conventional GE14 10 x 10 boiling water reactor (BWR) design with GNF-2 part length rod patterns to model a modern BWR assembly design.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

DOE OSTI2019

Direct Wavelength-Selective Optical and Electron-Beam Lithography of Functional Inorganic Nanomaterials

Direct optical lithography of functional inorganic nanomaterials (DOLFIN) is a photoresist-free method for highresolution patterning of inorganic nanocrystals (NCs) that has been demonstrated using deep UV (DUV, 254 nm) photons.In this work, we expand the versatility of DOLFIN by designing a series of photochemically active NC surface ligands for direct patterning using various photon energies including DUV, near-UV (i-line, 365 nm), blue (h-line, 405 nm), and visible (450 nm) light. We show that the exposure dose for DOLFIN can be similar to 30 mJ/cm 2 , which is small compared to most commercial photopolymer resists. Patterned nanomaterials can serve as highly robust optical diffraction gratings. We also introduce a general approach for resist-free direct electron-beam lithography of functional inorganic nanomaterials (DELFIN) which enables all-inorganic NC patterns with feature size down to 30 mu, while preserving the optical and electronic properties of patterned NCs. The designed ligand chemistries and patterning techniques offer a versatile platform for nano- and micron-scale additive manufacturing, complementing the existing toolbox for device fabrication.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2019

Simulations of Beam Chopping for Potential Upgrades of the SNS LEBT Chopper

The LEBT chopper is a critical element of the SNS accelerator system. In this work, the benefit of increasing the chopping voltage amplitude for the present chopping pattern is shown with beam simulations, and an ongoing hardware upgrade of the chopper pulser units is discussed. In addition, with the prospect of higher voltage capability of the new pulser design, two alternative chopping patterns which reduce the switching frequency of the chopper pulsers down to 1/2 or 1/4 of the present chopping pattern, are also explored with beam simulations.

Han, Baoxi↗

DOE OSTI2017

Prognostic Factors and Patterns of Locoregional Failure After Surgical Resection in Patients With Cholangiocarcinoma Without Adjuvant Radiation Therapy: Optimal Field Design for Adjuvant Radiation Therapy

Purpose: To identify prognostic factors and patterns of local failure in patients with cholangiocarcinoma (CCA), after surgical resection in the absence of adjuvant radiation, for optimal definition of target volumes encompassing the majority of local recurrences. Methods and Materials: A chart review was performed in patients who underwent resection for primary CCA (intrahepatic, hilar, and distal) between 1999 and 2014. Local failure was defined as recurrence in a theoretical reasonable postoperative radiation volume. This includes the cut surface of liver, biliary anastomosis, hilum, portal nodes, celiac nodes, peri-pancreatic nodes, gastro-hepatic nodes, and retroperitoneal nodes. Patients who received adjuvant radiation were excluded. Results: A total of 189 patients underwent surgical resection for CCA, of whom 145 patients had sufficient follow-up. Median follow-up was 41.6 months (95% confidence interval 35.4-48.7 months). Of the 145 cases, 102 were intrahepatic and 43 were hilar/distal CCA. Adjuvant chemotherapy was given in 38 cases (26%), of which 20 (54%) were gemcitabine-based. Eighty-six patients (59%) had a documented recurrence, of whom 44 (51%) had a locoregional component. Among patients who had a recurrence, 23 (27%) had a recurrence at the biliary anastomosis and/or cut liver surface. Twenty-eight patients (32.6%) had a recurrence in the regional lymph nodes, most prevalent in the portal (16.3%) and retroperitoneal (17.4%) lymph nodes. Univariable analysis identified tumor size, any vascular invasion, presence of satellites, stage/nodal status, and receipt of chemotherapy as significant prognostic factors of overall recurrence among intrahepatic patients. Presence of satellites, and stage 3/Nx status remained statistically significant in multivariable modeling. Conclusions: The areas at highest risk for locoregional recurrence after surgical resection for primary CCA are the biliary anastomosis/cut liver surface, portal lymph nodes, and retroperitoneal lymph nodes. Although these results need to be validated, adjuvant radiation should possibly cover these areas to maximize locoregional control.

62 RADIOLOGY AND NUCLEAR MEDICINE↗

DOE OSTI2022

ASAP: Automatic Synthesis of Area-Efficient and Precision-Aware CGRAs

Coarse-grained reconfigurable accelerators (CGRAs) are a promising accelerator design choice that strikes a balance between performance and adaptability to different computing patterns across various applications domains. Designing a CGRA for a specific application domain involves enormous software/hardware engineering effort. Recent research works explore loop transformations, functional unit types, network topology, and memory size to identify optimal CGRA designs given a set of kernels from a specific application do- main. Unfortunately, the impact of functional units with different precision support has rarely been investigated. To address this gap, we propose ASAP – a hardware/software co-design framework that automatically identifies and synthesizes optimal precision-aware CGRA for a set of applications of interest. Our evaluation shows that ASAP generates specialized designs 3.2×, 4.21×, and 5.8× more efficient (in terms of performance per unit of energy or area) than non-specialized homogeneous CGRAs, for the scientific computing, embedded, and edge machine learning domains, respectively, with limited accuracy loss. Moreover, ASAP provides more efficient designs than other state-of-the-art synthesis frameworks for specialized CGRAs.

artificial intelligence↗

DOE OSTI2026

Programmed synthesis of mesoporous protein crystals in cellular reactors

Protein crystals are naturally derived mesoporous materials with versatile structures and physicochemical properties. Here we introduce an intracellular synthesis platform that enables controllable and programmable protein crystallization. In live cells, we show that, after initial nucleation, steady protein expression governs crystal growth, yielding predictable, tunable dynamics in live cells. Exploiting this feature, we combined HaloTag and click chemistries to achieve modular, programmable immobilization of diverse guest materials with spatial patterning down to ~100 nm resolution. We further demonstrated the sequential release of immobilized materials in physiologically relevant fluids. As a proof of concept, we programmed particles to carry human fibroblast growth factors in distinct layers, which elicited designed oscillatory Akt signalling patterns in cell culture. Finally, this work outlines a programmable method for producing mesoporous materials, with possible applications in catalysis and biomedicine.

Yang, Hongru [Johns Hopkins Univ., Baltimore, MD (↗

DOE OSTI2013

Time dependent quantum thermodynamics of a coupled quantum oscillator system in a small thermal environment

Simulations are performed of a small quantum system interacting with a quantum environment. The system consists of various initial states of two harmonic oscillators coupled to give normal modes. The environment is “designed” by its level pattern to have a thermodynamic temperature. A random coupling causes the system and environment to become entangled in the course of time evolution. The approach to a Boltzmann distribution is observed, and effective fitted temperatures close to the designed temperature are obtained. All initial pure states of the system are driven to equilibrium at very similar rates, with quick loss of memory of the initial state. The time evolution of the von Neumann entropy is calculated as a measure of equilibration and of quantum coherence. It is pointed out using spatial density distribution plots that quantum interference is eliminated only with maximal entropy, which corresponds thermally to infinite temperature. Implications of our results for the notion of “classicalizing” behavior in the approach to thermal equilibrium are briefly considered.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2020

Giant momentum-dependent spin splitting in centrosymmetric low-$\textit{Z}$ antiferromagnets

The energy vs crystal momentum $\textit{E(k)}$ diagram for a solid (band structure) constitutes the road map for navigating its optical, magnetic, and transport properties. By selecting crystals with specific atom types, composition, and symmetries, one could design a target band structure and thus desired properties. A particularly attractive outcome would be to design energy bands that are split into spin components with a momentum-dependent splitting, as envisioned by Pekar and Rashba, enabling spintronic application. The current paper provides “design principles” for wave-vector dependent spin splitting (SS) of energy bands that parallel the traditional Dresselhaus and Rashba spin-orbit coupling (SOC)–induced splitting, but originates from a fundamentally different source—antiferromagnetism. Here, we identify a few generic antiferromagnetic (AFM) prototypes with distinct SS patterns using magnetic symmetry design principles. These tools allow also the identification of specific AFM compounds with SS belonging to different prototypes. A specific compound—centrosymmetric tetragonal MnF 2 —is used via density functional band-structure calculations to quantitatively illustrate one type of AFM SS. Unlike the traditional SOC-induced effects restricted to noncentrosymmetric crystals, we show that antiferromagnetic-induced spin splitting broadens the playing field to include even centrosymmetric compounds, and gives SS comparable in magnitude to the best known (“giant’” SOC effects, even without traditional SOC, and consequently does not rely on the often-unstable high atomic number elements required for high SOC. We envision that use of the current design principles to identify an optimal antiferromagnet with spin-split energy bands would be beneficial for efficient spin-charge conversion and spin-orbit torque applications without the burden of requiring compounds containing heavy elements.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

DOE OSTI2020

The STAR event plane detector

The Event Plane Detector (EPD) is an upgrade detector to the STAR experiment at RHIC, designed to measure the pattern of forward-going charged particles emitted in a high-energy collision between heavy nuclei. It consists of two highly-segmented disks of 1.2-cm-thick scintillator embedded with wavelength-shifting fiber, coupled to silicon photomultipliers and custom electronics. Finally, we describe the general design of the device, its construction, and performance on the bench and in the experiment.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

DOE OSTI2016

The Pandora multi-algorithm approach to automated pattern recognition in LAr TPC detectors

Pattern recognition is the identification of structures and regularities in data. In high energy physics, it is a vital stage in the reconstruction of events recorded by fine-granularity detectors. The development and operation of Liquid Argon Time Projection Chambers (LAr TPCs) for neutrino physics has created a need for new approaches to pattern recognition, in order to fully exploit the superb imaging capabilities offered by this technology. Whereas the human brain excels at identifying features in the recorded events, it is a significant challenge to develop an automated solution. The Pandora Software Development Kit (SDK) provides functionality to aid the process of designing, implementing and running pattern recognition algorithms. In particular, it promotes the use of a multi-algorithm approach to pattern recognition: individual algorithms each aim to address a specific task in a particular topology; a series of many tens of algorithms then carefully build-up a picture of the event and, together, provide a robust automated pattern recognition solution. Building on successful use of the Pandora SDK for pattern recognition at collider experiments, a sophisticated chain of algorithms has been created to perform pattern recognition for neutrino experiments utilising LAr TPCs like MicroBooNE. The input to the Pandora pattern recognition is a list of 2D Hits. The output from the chain of over 70 algorithms is a hierarchy of reconstructed 3D Particles, each with an identified particle type, vertex and direction. In this document, we present details of the Pandora pattern recognition algorithms used to reconstruct cosmic-ray and neutrino events in LAr TPCs. We also present metrics that assess the current reconstruction performance using simulated data from MicroBooNE.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗