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At least 1,747 records · Page 97

Microsystem Cooler Development

A patented microsystem Stirling cooler is under development with potential application to electronics, sensors, optical and radio frequency (RF) systems, microarrays, and other microsystems. The microsystem Stirling cooler is most suited to volume-limited applications that require cooling below the ambient or sink temperature. Primary components of the planar device include: two diaphragm actuators that replace the pistons found in traditional-scale Stirling machines; and a micro-regenerator that stores and releases thermal energy to the working gas during the Stirling cycle. The use of diaphragms eliminates frictional losses and bypass leakage concerns associated with pistons, while permitting reversal of the hot and cold sides of the device during operation to allow precise temperature control. Three candidate microregenerators were custom fabricated for initial evaluation: two constructed of porous ceramic, and one made of multiple layers of nickel and photoresist in an offset grating pattern. An additional regenerator was prepared with a random stainless steel fiber matrix commonly used in existing Stirling machines for comparison to the custom fabricated regenerators. The candidate regenerators were tested in a piezoelectric-actuated test apparatus designed to simulate the Stirling refrigeration cycle. In parallel with the regenerator testing, electrostatically-driven comb-drive diaphragm actuators for the prototype device have been designed for deep reactive ion etching (DRIE) fabrication.

Moran, Matthew E.↗

Detecting And Characterizing Archetypes of Unintended Consequences in Engineered Systems

When designing engineered systems, the potential for unintended consequences of design policies or design decisions exists despite best intentions. Conditions that might cause the formation of unintended consequences are often known only in hindsight. However, since these conditions are associated with a single event, it is difficult to uncover the general patterns of conditions leading to unintended consequences. In this research, patterns of conditions associated with unintended consequences are learned from historical data and represented in the form of archetypes. While previous work using systems theoretic modeling has identified high-level archetypes, this work leverages a self-organizing map to learn archetypes of unintended consequences from human-tagged risk factors in a large data set of lessons learned from adverse events at NASA. The sixty-six identified archetypes contain patterns of conditions such as complexity and human-machine interaction associated with the formation of unintended consequences. To validate the archetypes, a sample of the archetypes is represented using system dynamics in order to illustrate that the identified archetypes are specialized versions of known high-level archetypes of unintended consequences. While the research is based upon a specific dataset, the archetypes apply to any engineered system and the pattern of leading indicators open a new path to manage unintended consequences and mitigate the magnitude of potentially adverse outcomes.

Hannah S Walsh↗

Echo state network for coarsening dynamics of charge density waves

An echo state network (ESN) is a type of reservoir computer that uses a recurrent neural network with a sparsely connected hidden layer. Compared with other recurrent neural networks, one great advantage of ESN is the simplicity of its training process. Yet, despite the seemingly restricted learnable parameters, ESN has been shown to successfully capture the spatial-temporal dynamics of complex patterns. Here we build an ESN to model the coarsening dynamics of charge-density waves (CDWs) in a semiclassical Holstein model, which exhibits a checkerboard electron density modulation at half-filling stabilized by a commensurate lattice distortion. The inputs to the ESN are local CDW order parameters in a finite neighborhood centered around a given site, while the output is the predicted CDW order of the center site at the next time step. Special care is taken in the design of couplings between hidden layer and input nodes to ensure lattice symmetries are properly incorporated into the ESN model. Since the model predictions depend only on CDW configurations of a finite domain, the ESN is scalable and transferrable in the sense that a model trained on dataset from a small system can be directly applied to dynamical simulations on larger lattices. Furthermore, our work opens avenues for efficient dynamical modeling of pattern formations in functional electron materials.

2-dimensional systems↗

Nanoscale Ferroelectric Control of Novel Electronic States in Layered Two-Dimensional Materials (Final Report)

In this DOE Early Career project “Nanoscale Ferroelectric Control of Novel Electronic States in Layered Two-Dimensional Materials,” the PI’s group has combined ferroelectric field effect with nanoscale domain imaging and writing to design the electronic and optical properties of two-dimensional (2D) van der Waals materials, including graphene and transition metal dichalcogenides MoS2 and ReS2. The van der Waals materials have been prepared into field effect transistor (FET) devices with ferroelectric gates. Through domain patterning in a ferroelectric polymer PVDF-TrEF top-gate via conductive atomic force microscopy, the team has created programmable Schottky junctions in monolayer MoS 2 , where both barrier height and I-V rectifying polarity can be reconfigured. The transport anisotropy of monolayer to few-layer ReS 2 has been mapped out by defining the entire channel into an insulating state and creating nanoscale conducting paths along different directions through domain writing in the ferroelectric top-gate. The result shows that the conductivity along and perpendicular to the Re-chain can differ by >5.5x10 4 . Theoretical modeling points to the band origin of the transport anomaly and reveals the emergence of a flat band in few-layer ReS 2 . The interfacial epitaxial relation between ReS 2 and PVDF-TrFE further promotes the formation of close-packed, highly ordered PVDF-TrFE nanowires with width of 35 nm and 10 nm. Nonvolatile modulation of quantum Hall effect has been achieved in graphene FETs with a ferroelectric oxide Ba 0.4 Sr 0.6 TiO 3 back-gate. Scattering from the remote surface optical phonon in Ba 0.4 Sr 0.6 TiO 3 limits the room temperature mobility of graphene to be about 3x10 4 cm 2 /Vs. Steep-slope switching has been achieved in MoS 2 FETs back-gated by polycrystalline Pb(Zr,Ti)O 3 , which signals a static-state negative capacitance mode without involving an additional dielectric layer. Piezoresponse force microscopy studies show that the sub-threshold swing can be well correlated with the domain wall density in Pb(Zr,Ti)O 3 . The team also observes an unconventional filtering effect of the second harmonic generation response at the MoS 2 /Pb(Zr,Ti)O 3 heterointerface, which can be accounted for by the alignment between one of the polar axes of MoS 2 and the chiral dipole rotation at the surface of domain wall in Pb(Zr,Ti)O 3 . The research supported by this DOE grant has significantly advanced the fundamental understanding and functional design of ferroelectric/2D van der Waals heterostructures for their implementation towards energy applications.

36 MATERIALS SCIENCE↗

The OpenSE Cookbook: A Practical, Recipe Based Collection of Patterns, Procedures, and Best Practices for Executable Systems Engineering for the Thirty Meter Telescope

The OpenSE Cookbook is an open-sourced collection of patterns, procedures, and best practices targeted for systems engineers who seek guidance on applying model-based and executable systems engineering (MBSE) using SysML. Its content has emerged from the system level modeling effort on the European Framework Program 6 (FP6) and the Thirty Meter Telescope (TMT). The TMT MBSE approach applied the Executable Systems Engineering Method (ESEM) and the open-source Engineering Environment (OpenMBEE) to specify, analyze, and verify requirements of TMT’s Alignment and Phasing System (APS) and the Narrow Field Infrared Adaptive Optics System (NFIRAOS). In these applications, implicit dependencies are made explicit in a formal model through the use of ESEM, OpenMBEE, and SysML modeling constructs. The value proposition for applying this MBSE approach was to establish precise requirements and fine-grained traceability to system designs, and to verify key requirements beginning early in development. The integration of ESEM and the OpenMBEE tooling infrastructure (providing linked-data and web-operability) is a significant added value for the MBSE approach. The APS is responsible for the overall pre-adaptive optics wavefront quality, using starlight to measure wavefront errors and align the TMT optics. In the formally integrated and executable SysML model, simulations are performed to analyze the impact of changed requirements and verify specified constraints for various operational scenarios. The APS team used several modeling patterns to capture information such as the requirements, the operational scenarios, involved subsystems and their interaction points, the estimated or required time durations, and the mass and power consumption. Adaptive optics systems are designed to sense real-time atmospheric turbulence and correct the telescope’s optical beam to remove its effect. The system model for the adaptive optics operational modes was developed to capture sequence behaviors and operational scenarios to run Monte-Carlo simulations for verifying acquisition time, observing efficiency, and operational behavior requirements. The model is particularly useful for investigating the effect of parallelization, identifying interface issues, and re-ordering sequence acquisition tasks. A former version of the Cookbook (which is now updated to MBSE challenges, goals, and lessons learned) included modeling guidelines and conventions for all system aspects, hierarchy levels, and views, which were developed during for the Active Phasing Experiment (APE), an opto-mechatronical system technology demonstrator for the Extremely Large Telescope (ELT). The Cookbook utilizes the above mentioned system models as real-world case-studies to demonstrate and document the applications of the recipes, providing also instructional examples and addressing the available tooling support. The Cookbook is accompanied by a number of SysML models and aodel libraries which facilitate model authoring and maintenance. The Cookbook covers the different aspects of Systems Engineering such as management of Requirements, Design (behavior and structure), Interfaces, Interdisciplinary Integration, Analysis, Trade Studies, and Technical Resources. This paper presents the background, motivation, architecture, and highlights some key content of the Cookbook. For example, interface management, error budget management, requirements verification, Monte Carlo driven analysis, and timing analysis of operational scenarios. The paper discusses how the capabilities of OpenMBEE contributed significantly to the adoption of executable systems engineering.

Brower, Eric↗

Hierarchical assemblies of polypeptoids for rational design of advanced functional nanomaterials

Polypeptoids (poly-N-substituent glycines) are a class of highly tailorable peptidomimetic polymers. Polypeptoids have identical backbones as polypeptides (poly-C-substituent glycines), but sidechains of polypeptoids are appended to backbone nitrogen rather than α-carbon of polypeptides. As a result, peptoid backbone lacks of chirality and hydrogen bond donors. This unique structure gives polypeptoids a combined merit of both high stability as synthetic polymers and biocompatibility as biopolymers. In addition, peptoid sequences can be engineered precisely to assemble specific crystalline patterns such as spheres, fibers, ribbons, tubes, and sheets, which shows promising potentials of polypeptoids for different applications such as antimicrobials, catalysts, drug delivery, and templating inorganic materials. In this review, we summarize recent investigations into hierarchical self-assembly pathways and molecular structures of peptoid crystals that are of interest as templates for fabricating functional materials for potential biomedical, biochemical, and bioengineering applications. Furthermore, this review provides a summary of recent experimental and computational studies of polypeptoid assembly in solution and solid-liquid interfaces, current achievements in the field, and discusses future challenges and opportunities for the rational design of self-assembled polypeptoid nanomaterials.

36 MATERIALS SCIENCE↗

Brain-Computer Interfaces for 1-D and 2-D Cursor Control: Designs Using Volitional Control of the EEG Spectrum or Steady-State Visual Evoked Potentials

We have developed and tested two EEG-based brain-computer interfaces (BCI) for users to control a cursor on a computer display. Our system uses an adaptive algorithm, based on kernel partial least squares classification (KPLS), to associate patterns in multichannel EEG frequency spectra with cursor controls. Our first BCI, Target Practice, is a system for one-dimensional device control, in which participants use biofeedback to learn voluntary control of their EEG spectra. Target Practice uses a KF LS classifier to map power spectra of 30-electrode EEG signals to rightward or leftward position of a moving cursor on a computer display. Three subjects learned to control motion of a cursor on a video display in multiple blocks of 60 trials over periods of up to six weeks. The best subject s average skill in correct selection of the cursor direction grew from 58% to 88% after 13 training sessions. Target Practice also implements online control of two artifact sources: a) removal of ocular artifact by linear subtraction of wavelet-smoothed vertical and horizontal EOG signals, b) control of muscle artifact by inhibition of BCI training during periods of relatively high power in the 40-64 Hz band. The second BCI, Think Pointer, is a system for two-dimensional cursor control. Steady-state visual evoked potentials (SSVEP) are triggered by four flickering checkerboard stimuli located in narrow strips at each edge of the display. The user attends to one of the four beacons to initiate motion in the desired direction. The SSVEP signals are recorded from eight electrodes located over the occipital region. A KPLS classifier is individually calibrated to map multichannel frequency bands of the SSVEP signals to right-left or up-down motion of a cursor on a computer display. The display stops moving when the user attends to a central fixation point. As for Target Practice, Think Pointer also implements wavelet-based online removal of ocular artifact; however, in Think Pointer muscle artifact is controlled via adaptive normalization of the SSVEP. Training of the classifier requires about three minutes. We have tested our system in real-time operation in three human subjects. Across subjects and sessions, control accuracy ranged from 80% to 100% correct with lags of 1-5 seconds for movement initiation and turning.

Trejo, Leonard J.↗

Antenna Beam Coverage Concepts

The strawman Personal Access Satellite System (PASS) design calls for the use of a CONUS beam for transmission between the supplier and the satellite and for fixed beams for transmission between the basic personal terminal and the satellite. The satellite uses a 3 m main reflector for transmission at 20 GHz and a 2 m main reflector for reception at 30 GHz. There are several types of spot beams under consideration for the PASS system besides fixed beams. The beam pattern of a CONUS coverage switched beam is shown along with that of a scanning beam. A switched beam refers to one in which the signal from the satellite is connected alternatively to various feed horns. Scanning beams are taken to mean beams whose footprints are moved between contiguous regions in the beam's coverage area. The advantages and disadvantages of switched and/or scanning beams relative to fixed beams. The consequences of using switched/scanning in lieu of fixed beams in the PASS design and attempts are made to evaluate the listed advantages and disadvantages. Two uses of switched/scanning beams are examined. To illustrate the implications of switched beams use on PASS system design, operation at two beam scan rates is explored.

Estabrook, Polly↗

A primer on artificial intelligence in plant digital phenomics: embarking on the data to insights journey

Artificial intelligence (AI) has emerged as a fundamental component of global agricultural research that is poised to impact on many aspects of plant science. In digital phenomics, AI is capable of learning intricate structure and patterns in large datasets. We provide a perspective and primer on AI applications to phenome research. We propose a novel human-centric explainable AI (X-AI) system architecture consisting of data architecture, technology infrastructure, and AI architecture design. We clarify the difference between post hoc models and 'interpretable by design' models. We include guidance for effectively using an interpretable by design model in phenomic analysis. We also provide directions to sources of tools and resources for making data analytics increasingly accessible. In conclusion, this primer is accompanied by an interactive online tutorial.

60 APPLIED LIFE SCIENCES↗

Mesoscale Confinement Effects and Emergent Quantum Interference in Titania Antidot Thin Films

The effect of confinement on electron and ion transport in oxide films is of interest both fundamentally and technologically for the design of next-generation electronic devices. In metal oxides with mobile ions and vacancies, it is the interplay of the different modes of charge transport and the corresponding current–voltage signatures that is of interest. We developed a patterned structure in titania films, with feature sizes of 11–20 nm, that allow us to explore confined transport. In this study, we describe how confinement changes the competing charge transport mechanisms, the patterned antidot array leads to displacement fields and confines the charge density that results in modified and emergent electron transport with an increase in conductivity. This emergent behavior can be described by considering electron interference effects. Characterization of the charge transport with electron holography and impedance spectroscopy, and through comparison with modeling, show that nanoscale confinement is a way to control quantum interference.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Auto-deconvolution and molecular networking of gas chromatography–mass spectrometry data

We engineered a machine learning approach, MSHub, to enable auto-deconvolution of gas chromatography–mass spectrometry (GC–MS) data. We then designed workflows to enable the community to store, process, share, annotate, compare and perform molecular networking of GC–MS data within the Global Natural Product Social (GNPS) Molecular Networking analysis platform. MSHub/GNPS performs auto-deconvolution of compound fragmentation patterns via unsupervised non-negative matrix factorization and quantifies the reproducibility of fragmentation patterns across samples.

47 OTHER INSTRUMENTATION↗

Numerical and Visual Representations of Uncertainty Lead to Different Patterns of Decision Making

Although visualizations are a useful tool for helping people to understand information, they can also have unintended effects on human cognition. This is especially true for uncertain information, which is difficult for people to understand. Prior work has found that different methods of visualizing uncertain information can produce different patterns of decision making from users. However, uncertainty can also be represented via text or numerical information, and few studies have systematically compared these types of representations to visualizations of uncertainty. We present two experiments that compared visual representations of risk (icon arrays) to numerical representations (natural frequencies) in a wildfire evacuation task. Like prior studies, we found that different types of visual cues led to different patterns of decision making. In addition, our comparison of visual and numerical representations of risk found that people were more likely to evacuate when they saw visualizations than when they saw numerical representations. These experiments reinforce the idea that design choices are not neutral: seemingly minor differences in how information is represented can have important impacts on human risk perception and decision making.

97 MATHEMATICS AND COMPUTING↗

Position Papers for the ASCR Workshop on the Management and Storage of Scientific Data

The purpose of this workshop is to identify priority research directions in the area of data management for high-performance and scientific computing above and beyond HPC’s traditional "the parallel file system is the data-management system" model. Supporting the breadth of the DOE mission, including the explosion of AI uses and the growing needs of experimental and observational science, motivates revisiting our assumptions about data management. There are many facets of this topic to explore including: (1) Interfaces for accessing data that resides on traditional persistent storage as well as memory devices; (2) Storage-system architecture design that supports scientific workflows on varied hierarchical storage and networking devices; (3) Devising metadata management infrastructure to support FAIR principles (Findability, Accessibility, Interoperability, and Reusability); (4) Capturing provenance information about scientific data; (5) Utilizing AI to learn I/O patterns of emerging workloads for efficient data management; (6) Providing data management support for AI and complex workflows; and (7) Understanding the overlap between traditional storage systems and I/O (SSIO) efforts and data management. While the program committee has identified these topics as important areas for discussion, we welcome position papers from the community that propose additional topics of interest for discussion at the workshop. The workshop agenda will include breakout sessions for discussing these and selected topic areas to inform priority research directions for data management for high-performance and scientific computing.

97 MATHEMATICS AND COMPUTING↗

Report for the ASCR Workshop on the Management and Storage of Scientific Data

The purpose of this workshop is to identify priority research directions in the area of data management for high-performance and scientific computing above and beyond HPC’s traditional "the parallel file system is the data-management system" model. Supporting the breadth of the DOE mission, including the explosion of AI uses and the growing needs of experimental and observational science, motivates revisiting our assumptions about data management. There are many facets of this topic to explore including: (1) Interfaces for accessing data that resides on traditional persistent storage as well as memory devices; (2) Storage-system architecture design that supports scientific workflows on varied hierarchical storage and networking devices; (3) Devising metadata management infrastructure to support FAIR principles (Findability, Accessibility, Interoperability, and Reusability); (4) Capturing provenance information about scientific data; (5) Utilizing AI to learn I/O patterns of emerging workloads for efficient data management; (6) Providing data management support for AI and complex workflows; and (7) Understanding the overlap between traditional storage systems and I/O (SSIO) efforts and data management. While the program committee has identified these topics as important areas for discussion, we welcome position papers from the community that propose additional topics of interest for discussion at the workshop. The workshop agenda will include breakout sessions for discussing these and selected topic areas to inform priority research directions for data management for high-performance and scientific computing.

97 MATHEMATICS AND COMPUTING↗

LANSCE Accelerator Modernization Project (LAMP) Overview [Slides]

LANSCE is based on a high-current 800 MeV proton accelerator capable of delivering 1 MW of beam power to the central target area. The LANSCE accelerator provides beam simultaneously to 5 separate experimental areas. LANSCE operates with 650 µs RF macro pulses at 120 Hz. Within this macro pulse several different beam timing patterns are utilized. LANSCE also accelerates H + and H – simultaneously. LANSCE celebrated 50 years of beam delivery in 2022.

43 PARTICLE ACCELERATORS↗

Depot-Based Vehicle Data for National Analysis of Medium- and Heavy-Duty Electric Vehicle Charging

Medium- and heavy-duty vehicles (MHDVs) are a major source of greenhouse gases and local criteria air pollutants. Electrifying MHDVs may reduce these harmful emissions, which disproportionately impact disadvantaged communities. Due to their relatively high per-vehicle energy needs, consistent fleet operations, and frequent colocation of multiple vehicles at depots, MHDVs may have more spatially and temporally concentrated charging demands than light-duty passenger electric vehicles. That charging concentration means their electrification may require careful advance planning and coordination to manage potential impacts to the electrical grid via charge management or infrastructure upgrades. However, MHDV duty cycles and parking schedules are highly variable across vocations of operation, and there is a shortage of nationally representative, vocationally diverse public data describing typical MHDV operations. This report summarizes the methodology - designed with national representativeness in mind - used to create a new set of data describing typical daily driving distances, dwell durations, and normalized electric vehicle depot charging load curves for MHDVs. The dataset reflects the subset of MHDV operating patterns that may originate from a consistent depot each day and rely on the same depot for charging. In addition to trucks with depot-centric vocational patterns, the data describes operations of transit buses and school buses, each with a depot-centric focus. The dataset is available to the public and suitable for national analysis. It can inform research, infrastructure planning, and policymaking regarding the electrification of MHDVs.

33 ADVANCED PROPULSION SYSTEMS↗

What Is the Limit of Quantification for the Minor Phase in Time-of-Flight Neutron Diffraction? A Case Study on Fe and Ni Powder Mixtures at VULCAN

A phase present in small quantities within materials may not simply serve as a secondary component; it can play a crucial role in determining the integrity, properties, and performance of the material. These minor but important phases usually draw attention in material design and processing for fundamental understanding as well as material quality control. Accurately quantifying a minor phase amid a majority phase, especially at extremely low fractions, remains a challenging task. Time-of-flight neutron diffraction, coupled with advanced pattern analysis techniques like Rietveld refinement, is a powerful tool for crystal structure identification and phase quantification. The deep penetrating capability of neutrons enables the detection and quantification of trace phases within materials. In this study, the quantification limits of time-of-flight neutron diffraction were explored using the VULCAN diffractometer at the Spallation Neutron Source, using Fe–Ni powder mixtures as a sample system. By comparing the refinement results to the known weighed values, it was determined that the reliable quantification of a minor Ni phase is achievable down to about 0.1 wt% while a Ni fraction as low as 0.02 wt% is difficult to trace. Effective control of the refinement parameters, especially the profile function parameters, are found to significantly influence the convergence of fittings and the accuracy of phase quantification.

Rietveld refinement↗

Digital receiver simulation

Digital simulation of the data link for the Saturn-Uranus spacecraft design is summarized. The data link is a 40 watt, 400 MegaHertz, 44 bit-a-second link, a power starved link, and uses convolution coding. Aspects of the link of particular interest are atmospheric scintillation and the Doppler to data rate ratio. The major characteristics of the scintillation are modeled in terms of tapped delay lines. A candidate system design and receiver design is developed. A computer flow diagram depicting a routine for the error rate and one for acquisition is presented. Various coding algorithms are analyzed since the convolution code is sensitive to the distribution of error and the actual pattern of the error.

Hinrichs, C.↗