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DOE OSTI2020

Multifunctional light beam source for surface slope measuring long trace profilers

To fully exploit the advantages of fourth-generation synchrotron light sources, diffraction-limited-storage-rings (DLSR) and fully coherent free electron lasers (FELs), beamline mirrors and diffraction grating must be of exceptional quality. To achieve the required mirror and grating quality, the metrology instrumentation and methods used to characterize these challenging optics and, even more so, optical assemblies must also offer exceptional functionality and performance. One of the most widely used slope measuring instruments for characterizing x-ray optics is the long trace profiler (LTP). The easily reconfigurable mechanical design of the LTP allows optimization of the profiler arrangement to the specifics of a particular metrology task. Here, we discuss the optical schematic, design, and performance of an original multifunctional light beam source that provides functional flexibility of the LTP optical sensor. With this source, the LTP can be easily reconfigured for measurements of x-ray mirrors or diffraction gratings that have widely different source coherence requirements. Usage of a source with a low degree of coherence for mirror metrology helps to suppress the LTP systematic errors due to spurious interference effects in the LTP optical elements. A high-coherence narrow-band source is used for groove-density-distribution characterization of x-ray diffraction gratings. The systematic error and spatial resolution of the LTP with the different sources is also measured and analyzed.

Yashchuk, Valeriy V.↗

DOE OSTI2015

Combining Phase Identification and Statistic Modeling for Automated Parallel Benchmark Generation

Parallel application benchmarks are indispensable for evaluating/optimizing HPC software and hardware. However, it is very challenging and costly to obtain high-fidelity benchmarks reflecting the scale and complexity of state-of-the-art parallel applications. Hand-extracted synthetic benchmarks are time-and labor-intensive to create. Real applications themselves, while offering most accurate performance evaluation, are expensive to compile, port, reconfigure, and often plainly inaccessible due to security or ownership concerns. This work contributes APPRIME, a novel tool for trace-based automatic parallel benchmark generation. Taking as input standard communication-I/O traces of an application's execution, it couples accurate automatic phase identification with statistical regeneration of event parameters to create compact, portable, and to some degree reconfigurable parallel application benchmarks. Experiments with four NAS Parallel Benchmarks (NPB) and three real scientific simulation codes confirm the fidelity of APPRIME benchmarks. They retain the original applications' performance characteristics, in particular the relative performance across platforms.

Jin, Ye↗

DOE OSTI2019

Controlling Matter at the Molecular Scale with DNA Circuits

In recent years, a diverse set of mechanisms have been developed that allow DNA strands with specific sequences to sense information in their environment and to control material assembly, disassembly, and reconfiguration. These sequences could serve as the inputs and outputs for DNA computing circuits, enabling DNA circuits to act as chemical information processors to program complex behavior in chemical and material systems. In this review, we describe processes that can be sensed and controlled within such a paradigm. Specifically, there are interfaces that can release strands of DNA in response to chemical signals, wavelengths of light, pH, or electrical signals, as well as DNA strands that can direct the self-assembly and dynamic reconfiguration of DNA nanostructures, regulate particle assemblies, control encapsulation, and manipulate materials including DNA crystals, hydrogels, and vesicles. These interfaces have the potential to enable chemical circuits to exert algorithmic control over responsive materials, which may ultimately lead to the development of materials that grow, heal, and interact dynamically with their environments.

59 BASIC BIOLOGICAL SCIENCES↗

DOE OSTI2016

Kinematic Design of Serial Link Manipulators From Task Specifications

The Reconfigurable Modular Manipulator System (RMMS) consists of modular links and joints that can be assembled into many manipulator configurations. This capability allows the RMMS to be rapidly reconfigured to custom tailor it to specific tasks. An important issue related to the RMMS is the determination of the optimal manipulator configuration for a specific task. This article addresses the problem of mapping kinematic task specifications into a kinematic manipulator configuration. For the design of two-degrees-of-freedom (2- DOF) planar manipulators, an analytical solution is derived. Because analytical solutions become impractical for problems with more than two design parameters, we have also developed a numerical approach for the design of 6-DOF manipulators. The numerical procedure determines the Denavit-Hartenberg (D-H) parameters of a nonredundant manipulator with joint limits that can reach a set of specified positions/orientations in an environment that may include parallelepiped-shaped obstacles. Finally, this approach is demonstrated with a three- dimensional example for a 6-DOF manipulator.

42 ENGINEERING↗

DOE OSTI2024

Post-processing of phase change material in a zero-change commercial silicon photonic process

Integration of phase change material (PCM) with photonic integrated circuits can transform large-scale photonic systems by providing non-volatile control over phase and amplitude. The next generation of commercial silicon photonic processes can benefit from the addition of PCM to enable ultra-low power, highly reconfigurable, and compact photonic integrated circuits for large-scale applications. Despite all the advantages of PCM-based photonics, today’s commercial foundries do not provide them in their silicon photonic processes yet. We demonstrate the first-ever electrically programmable PCM device that is monolithically post-processed in a commercial foundry silicon photonics process using a few fabrication steps and coarse-resolution photolithography. These devices achieved 1.4 dB/μm of amplitude switching contrast using a thin layer of 12.5 nm GeSbTe in this work. We have also characterized the reconfiguration speed as well as repeatability of these devices over 20,000 switching cycles. Our solution enables non-volatile photonic VLSI systems that can be fabricated at low cost and high reliability in a commercial foundry process, paving the way for the development of non-volatile programmable photonic integrated circuits for a variety of emerging applications.

Optics↗

DOE OSTI2026

CMOS-fabricated ultraviolet light modulator using low-loss alumina piezo-optomechanical photonics

Ultra-violet (UV) and near-UV wavelengths are necessary for many important optical transitions for quantum technologies and various sensing mechanisms for biological and chemical detection. However, all well-known photonic platforms have excessively high losses in the UV, which has prevented photonic integrated circuits (PICs) being used to address these and other important application spaces. Photonic waveguides using low-loss alumina cores and silicon dioxide cladding have emerged as a promising solution because of alumina’s large optical bandgap and the high quality of films enabled by atomic layer deposition. These properties allow passive, low-loss waveguide operation down to at least 266 nm using multimode widths. However, to the best of our knowledge, active alumina PICs have only been realized using thermo-optic tuning, which precludes switching speeds shorter than approximately 100 microseconds, high circuit densities, and cryogenically compatible operation. Here, we introduce a CMOS-fabricated, piezo-optomechanical PIC platform using alumina waveguides and piezoelectric aluminum nitride strain actuators. The platform allows for sub-microsecond switching times, high circuit densities, and cryogenic operation which is desired in many UV PIC applications. We demonstrate a high-performance, reconfigurable optical filter operating at wavelengths as low as 320 nm. The filter has a 6-nanosecond switching time, a loaded linewidth of 3.3 GHz, tuning rate of 28 V/linewidth, and a hold power of less than 20 nW at one linewidth detuning. This work establishes the foundations for a new class of CMOS-fabricated, rapidly reconfigurable, and low-power UV photonic circuits compatible with wavelengths as low as 225 nm.

Castillo, Zachary A. [Sandia National Laboratories↗

DOE OSTI2020

Adhesion-force micro-scale study of desiccating granular material

Experiments on five-, four-, three- and two-wet-hydrophilic-grain clusters were performed to investigate evolution of adhesion of granular media during drying on the micro-scale. The experiments show that the adhesion-force of a cluster initially grows at most to three times the original value before decreasing to zero by the end of evaporation. The adhesion-force is composed of capillary pressure force acting over the liquid/solid contact surface area, and surface tension forces acting over the three-phase contact perimeter length. This is in contrast with most macro-scale phenomenological models, in which the only desaturation process variables affecting strength are suction and saturation. Both the contact surface area and contact perimeter length are reduced to zero upon complete liquid evaporation. The morphology of an evaporating water body evolves through slow flow controlled by evaporation rate, interrupted by various modes of fast air entry, which are non-equilibrium jumps of liquid/gas interfaces (Haines jumps). The instabilities involve large adhesion force discontinuities and substantial water mass reconfiguration with water flow in an extremely short time, which makes the process transient. The reconfigurations can reduce the original multi-grain water clusters to four-, three- and two-grain clusters by way of three different instability modes: of thin-sheet instability, or meniscus snap-through instability, depending on the sign of the Gauss curvature of the liquid surface, or finally, for two-grain bridges only, a liquid wire pinch-off. For larger meso-scale assemblies, however, the global adhesion-force evolution is little affected by the jumps. The air entries are potential sites for drying cracks. The (approximately) calculated capillary pressure for two- and three-grain clusters, in no cases is seen to reach high values, predicted from water retention curves.

Engineering↗

DOE OSTI2013

Assessment of the Revised 3410 Building Filtered Exhaust Stack Sampling Probe Location

In order to support the air emissions permit for the 3410 Building, Pacific Northwest National Laboratory performed a series of tests in the exhaust air discharge from the reconfigured 3410 Building Filtered Exhaust Stack. The objective was to determine whether the location of the air sampling probe for emissions monitoring meets the applicable regulatory criteria governing such effluent monitoring systems. In particular, the capability of the air sampling probe location to meet the acceptance criteria of ANSI/HPS N13.1-2011 , Sampling and Monitoring Releases of Airborne Radioactive Substances from the Stack and Ducts of Nuclear Facilities was determined. The qualification criteria for these types of stacks address 1) uniformity of air velocity, 2) sufficiently small flow angle with respect to the axis of the duct, 3) uniformity of tracer gas concentration, and 4) uniformity of tracer particle concentration. Testing was performed to conform to the quality requirements of NQA-1-2000. Fan configurations tested included all fan combinations of any two fans at a time. Most of the tests were conducted at the normal flow rate, while a small subset of tests was performed at a slightly higher flow rate achieved with the laboratory hood sashes fully open. The qualification criteria for an air monitoring probe location are taken from ANSI/HPS N13.1-2011 and are paraphrased as follows with key results summarized: 1. Angular Flow—The average air velocity angle must not deviate from the axis of the stack or duct by more than 20°. Our test results show that the mean angular flow angles at the center two-thirds of the ducts are smaller than 4.5% for all testing conditions. 2. Uniform Air Velocity—The acceptance criterion is that the COV of the air velocity must be ≤ 20% across the center two thirds of the area of the stack. Our results show that the COVs of the air velocity across the center two-thirds of the stack are smaller than 2.9% for all testing conditions. 3. Uniform Concentration of Tracer Gases—The uniformity of the concentration of potential contaminants is first tested using a tracer gas to represent gaseous effluents. The tracer is injected downstream of the fan outlets and at the junction downstream fan discharges meet. The acceptance criteria are that 1) the COV of the measured tracer gas concentration is ≤20% across the center two-thirds of the sampling plane and 2) at no point in the sampling plane does the concentration vary from the mean by >30%. Our test results show that 1) the COV of the measured tracer gas concentration is < 2.9% for all test conditions and 2) at no point in the sampling plane does the concentration vary from the mean by >6.5%. 4. Uniform Concentration of Tracer Particles—Tracer particles of 10-μm aerodynamic diameter are used for the second demonstration of concentration uniformity. The acceptance criterion is that the COV of particle concentration is ≤ 20% across the center two thirds of the sampling plane. Our test results indicate that the COV of particle concentration is <9.9% across the center two-thirds of the sampling plane among all testing conditions. Thus, the reconfigured 3410 Building Filtered Exhaust Stack was determined to meet the qualification criteria given in the ANSI/HPS N13.1-2011 standard. Changes to the system configuration or operations outside the bounds described in this report (e.g., exhaust stack velocity changes, relocation of sampling probe, and addition of fans) may require re-testing or re-evaluation to determine compliance.

3410 building↗

DOE OSTI2015

Accelerating Science Driven System Design With RAMP

Researchers from UC Berkeley, in collaboration with the Lawrence Berkeley National Lab, are engaged in developing an Infrastructure for Synthesis with Integrated Simulation (ISIS). The ISIS Project was a cooperative effort for “application-driven hardware design” that engages application scientists in the early parts of the hardware design process for future generation supercomputing systems. This project served to foster development of computing systems that are better tuned to the application requirements of demanding scientific applications and result in more cost-effective and efficient HPC system designs. In order to overcome long conventional design-cycle times, we leveraged reconfigurable devices to aid in the design of high-efficiency systems, including conventional multi- and many-core systems. The resulting system emulation/prototyping environment, in conjunction with the appropriate intermediate abstractions, provided both a convenient user programming experience and retained flexibility, and thus efficiency, of a reconfigurable platform. We initially targeted the Berkeley RAMP system (Research Accelerator for Multiple Processors) as that hardware emulation environment to facilitate and ultimately accelerate the iterative process of science-driven system design. Our goal was to develop and demonstrate a design methodology for domain-optimized computer system architectures. The tangible outcome is a methodology and tools for rapid prototyping and design-space exploration, leading to highly optimized and efficient HPC systems.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2016

EME 192 Report

I spent the quarter working in Lawrence Livermore National Laboratory’s (LLNL) Materials Engineering Division. The group I have been working with (I’ve been here for two summers already) focuses on advanced manufacturing techniques such as stereolithography, electrophoretic deposition, and the printing of silicon based inks. Part of the goal of what is done in our group is to create designer materials not by altering the composition but by altering the micro-architecture. Our technology can create shapes that are not possible with traditional manufacturing techniques. This allows us to create structures that are light, yet very strong and stiff. It also allows us to create materials with property gradients. In other words, we can make structures and parts that are stronger in some locations than others. I have been working with electrophoretic deposition for the duration of my stay and have focused on advancing the technology from a thin-film technique to a true additive manufacturing paradigm. Put succinctly, electrophoretic deposition is the deposition of particles in suspension with electric fields. Particles have a potential on the surface which allows them to be driven to an electrode using an electric field. The particles then deposit onto the conductive regions of the substrate, traditionally, the entire surface. Electrophoretic deposition is powerful in that it can handle a wide variety of materials (ceramics, metals, bacteria), create material gradients in the deposits, and create layered deposition of multiple materials. A drawback of traditional electrophoretic deposition is that patterned deposits are only possible with a non-reconfigurable patterned electrode. A technique was developed at LLNL that allows for the arbitrary patterning of the electric field using photoconductive electrodes and light. This way, you can create interesting shapes and reconfigure the pattern of the deposit using the same electrode. A photoconductive electrode is made by hydrothermally growing titania nanorods onto a transparent current collector. A photomask is used to block incoming some light and only allow the desired pattern of light through. The photoconductive electrode then activates when and where the light hits, once an electric field is applied. Particles will migrate to the areas of illumation and deposit.

36 MATERIALS SCIENCE↗

DOE OSTI2016

Towards a Scalable and Adaptive Application Support Platform for Large-Scale Distributed E-Sciences in High-Performance Network Environments

The advent of large-scale collaborative scientific applications has demonstrated the potential for broad scientific communities to pool globally distributed resources to produce unprecedented data acquisition, movement, and analysis. System resources including supercomputers, data repositories, computing facilities, network infrastructures, storage systems, and display devices have been increasingly deployed at national laboratories and academic institutes. These resources are typically shared by large communities of users over Internet or dedicated networks and hence exhibit an inherent dynamic nature in their availability, accessibility, capacity, and stability. Scientific applications using either experimental facilities or computation-based simulations with various physical, chemical, climatic, and biological models feature diverse scientific workflows as simple as linear pipelines or as complex as a directed acyclic graphs, which must be executed and supported over wide-area networks with massively distributed resources. Application users oftentimes need to manually configure their computing tasks over networks in an ad hoc manner, hence significantly limiting the productivity of scientists and constraining the utilization of resources. The success of these large-scale distributed applications requires a highly adaptive and massively scalable workflow platform that provides automated and optimized computing and networking services. This project is to design and develop a generic Scientific Workflow Automation and Management Platform (SWAMP), which contains a web-based user interface specially tailored for a target application, a set of user libraries, and several easy-to-use computing and networking toolkits for application scientists to conveniently assemble, execute, monitor, and control complex computing workflows in heterogeneous high-performance network environments. SWAMP will enable the automation and management of the entire process of scientific workflows with the convenience of a few mouse clicks while hiding the implementation and technical details from end users. Particularly, we will consider two types of applications with distinct performance requirements: data-centric and service-centric applications. For data-centric applications, the main workflow task involves large-volume data generation, catalog, storage, and movement typically from supercomputers or experimental facilities to a team of geographically distributed users; while for service-centric applications, the main focus of workflow is on data archiving, preprocessing, filtering, synthesis, visualization, and other application-specific analysis. We will conduct a comprehensive comparison of existing workflow systems and choose the best suited one with open-source code, a flexible system structure, and a large user base as the starting point for our development. Based on the chosen system, we will develop and integrate new components including a black box design of computing modules, performance monitoring and prediction, and workflow optimization and reconfiguration, which are missing from existing workflow systems. A modular design for separating specification, execution, and monitoring aspects will be adopted to establish a common generic infrastructure suited for a wide spectrum of science applications. We will further design and develop efficient workflow mapping and scheduling algorithms to optimize the workflow performance in terms of minimum end-to-end delay, maximum frame rate, and highest reliability. We will develop and demonstrate the SWAMP system in a local environment, the grid network, and the 100Gpbs Advanced Network Initiative (ANI) testbed. The demonstration will target scientific applications in climate modeling and high energy physics and the functions to be demonstrated include workflow deployment, execution, steering, and reconfiguration. Throughout the project period, we will work closely with the science communities in the fields of climate modeling and high energy physics including Spallation Neutron Source (SNS) and Large Hadron Collider (LHC) projects to mature the system for production use.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2017

Green-House-Gas-Reduced Coal-and-Biomass-to-Liquid-Based Jet Fuel (GHGR-CBTL) Process - Final Technical report

This Final Technical Report describes the work and accomplishments of the project entitled, “Green-House-Gas-Reduced Coal-and-Biomass-to-Liquid-Based Jet Fuel (GHGR-CBTL) Process”. The main objective of the project was to raise the Technology Readiness Level (TRL) of the GHGR-CBTL fuel-production technology from TRL 4 to TRL 5 by producing a drop-in synthetic Jet Propellant 8 (JP-8) with a greenhouse-gas footprint less than or equal to petroleum-based JP-8 by utilizing mixtures of coal and biomass as the feedstock. The system utilizes the patented Altex fuel-production technology, which incorporates advanced catalysts developed by Pennsylvania State University. While the system was not fabricated and tested, major efforts were expended to design the 1-TPD and a full-scale plant. The system was designed, a Block-Flow Diagram (BFD), a Process-Flow Diagram (PFD), and Piping-and-Instrumentation Diagrams (P&IDs) were produced, a Bill of Materials (BOM) and associated spec sheets were produced, commercially available components were selected and procured, custom components were designed and fabricated, catalysts were developed and screened for performance, and permitting activities were conducted. Optimization tests for JP-8 production using C2 olefin as the feed were performed over a range of temperatures, pressures and WHSVs. Liquid yields of between 63 to 65% with 65% JP-8 fraction (41-42% JP-8 yield) at 50 psig were achieved. Life-Cycle Analysis (LCA) was performed by Argonne National Laboratory (ANL), and a GHGR-CBTL module was added to the Greenhouse gases, Regulated Emissions, and Energy use in Transportation (GREET®) model. Based upon the experimental results, the plant design was reconfigured for zero natural-gas imports and minimal electricity imports. The LCA analysis of the reconfigured process utilizing the GREET model showed that if the char from the process was utilized to produce combined heat and power (CHP) then a feed containing 23 wt% biomass and 77 wt% lignite would be needed for parity with petroleum-based JP-8. If the char is not utilized for CHP, but sequestered in a land fill, 24 wt% biomass and 76 wt% lignite would be required. A TEA was performed on this configuration following DOE guidelines and using the ANL-developed GREET module that showed that the GHGR-CBTL TOC and ECO are 69% and 58% of those for the DOE FT-Liquids Baseline Case, respectively. This analysis shows that the economics of the GHGR-CBTL process are significantly better than a gasification/FT process. No technical barriers were identified. The lower costs and the detailed design that was performed under this project are being used by Altex to attract funding partners to move the GHGR-CBTL development forward.

01 COAL, LIGNITE, AND PEAT↗

DOE OSTI2015

Climate and Environmental Sciences Division, North Slope of Alaska Priorities Workshop, September 10–12, 2014

The U.S. Department of Energy (DOE) Climate and Environmental Sciences Division (CESD) within the Office of Biological and Environmental Research (BER), is hosting a series of workshops to solicit community feedback on how key scientific needs, gaps, and priorities in process model understanding and climate model prediction could be addressed through strategic deployment and operation of instruments and routine high resolution modeling. In particular, the use of the Atmospheric Radiation Measurement (ARM) Climate Research Facility—a DOE Office of Science user facility— is being reconfigured to better support the integration of observations and high-resolution modeling and to address these types of emerging science questions. As part of ARM’s reconfiguration, instruments are being concentrated to produce denser observational capabilities at fewer sites. In September 2014, the North Slope of Alaska (NSA) Priorities Workshop was held to obtain scientific input on priorities for observational and scientific research activities related to atmospheric processes in the North Slope region and to identify gaps or needs that limit the ability of the research community to address these scientific priorities. Topics of discussion included capabilities at the existing ARM NSA facilities in Barrow and Oliktok Point, additional observations that may supplement and/or link these facilities (e.g., aircraft, unmanned aerial systems, tethered balloons, scanning radar systems, surface stations), and modeling activities.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2019

Hydraulic Testing of the Lost Lake Aquifer Near Recovery Well RWM 8

Groundwater beneath the M-Area HWMF is contaminated with chlorinated ethenes including trichloroethylene (TCE) and tetrachloroethylene (PCE). SRS operates a network of recovery wells designed to hydraulically contain and capture the high concentration VOC plume in the Lost Lake Aquifer Zone (LLAZ) (Figure 1). The recovery wells are connected to the M-1 Air Stripper and the system is permitted by the South Carolina Department of Environmental Control (SCDHEC) to operate at a total flow of 610 gpm. RWM 8, which is one of ten operational recovery wells, has historically operated at a flow rate of approximately 40 gpm. RWM 8 was installed with four separate 10-ft screens that spanned the LLAZ with a continuous gravel pack spaced as shown in Figure 2. The three uppermost screens are located within the LLAZ whereas the deepest screen is located within the middle sand of the Crouch Branch Confining Unit (CBCU). Area Closure Projects (ACP) installed a permanent packer in May 2019 to isolate the lowest screen from the pump with the goal being to target the zone of highest concentration in the LLAZ. ACP expressed concern that a substantial portion of the flow from RWM 8 comes from the lower screen. With this screen isolated from service, flow from the well may be below the desired operational envelope for the well. The reconfiguration of RWM 8 presented an opportunity to re-evaluate the performance characteristics of the well. Following placement of the packer and relocation of the pump, the well was redeveloped. To assess the effects of eliminating the lower screen, a step-drawdown test was planned. The purpose of this test was to establish new baseline well performance properties including specific capacity, well efficiency, and well loss coefficients. Data from the step-drawdown testing was also used to estimate a maximum pumping rate for RWM 8 under the new configuration. The setup for the step-drawdown test facilitated a subsequent constant rate aquifer pumping test aimed at determining aquifer hydraulic properties. Properties estimated for the LLAZ included transmissivity and storativity. Following shutdown of RWM 8, recovery data were also collected and analyzed to estimate aquifer properties. This report discusses the hydrologic tests conducted following the reconfiguration of RWM 8. The information provided in this report may serve as input to subsequent updates to the groundwater flow and contaminant transport model for A/M Area.

42 ENGINEERING↗

DOE OSTI2019

Evaluating Proxy Apps with FPGAs

Field-programmable gate arrays (FPGAs) are becoming more promising for high performance computing (HPC). Unlike fixed hardware specialization, reconfigurability allows FPGAs to be customized for a wide variety of HPC workloads. Our ultimate goal is to understand the viability of FPGAs as accelerators for some of the key HPC codes at LLNL and identify application characteristics that can benefit from the reconfigurability of FPGAs. More specifically, this LDRD project conducted a detailed performance study of FPGAs using sparse matrix computations and identified key optimization techniques to effectively use FPGA hardware resources.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2020

Functional, Hierarchical Colloidal Liquid Crystal Gels and Liquid Crystal Elastomers Nanocomposites. Final Report

Biological systems rely on a hierarchy of dynamic, complex and reconfigurable compartments to carry out functions essential for life. This hierarchical organization serves as an amplifier that allows highly localized, molecular events to propagate into the mesoscale, resulting in dynamic functional properties of biological systems that have not yet been fully realized in synthetic material designs. We pursued a program of research in which we recreated such principles using synthetic liquid crystals (LC) as a versatile platform. We elucidated new hierarchical design strategies that heavily leverage surface anchoring, coexisting phases and interfacial tension gradient to realize equilibrium and non-equilibrium, dynamic mesoscale phenomena in the context of micrometer-sized LC droplets containing multiple compartments. Specifically, we unmasked how equilibrium and dynamical phenomena emerged from hierarchical organizations in reconfigurable, thermotropic liquid crystalline assemblies. The long-term impact of the project is to advance new hierarchical designs of complex soft matter systems in which biomimetic principles, including the propagation of events or information over multiple temporal and spatial scales, are enacted in a facile manner.

36 MATERIALS SCIENCE↗

DOE OSTI2021

Germanium Telluride Chalcogenide Switches for RF Applications

This project developed prototype germanium telluride switches, which can be used in RF applications to improve SWAP (size, weight, and power) and signal quality in RF systems. These switches can allow for highly reconfigurable systems, including antennas, communications, optical systems, phased arrays, and synthetic aperture radar, which all have high impact on current National Security goals for improved communication systems and communication technology supremacy. The final result of the project was the demonstration of germanium telluride RF switches, which could act as critical elements necessary for a single chip RF communication system that will demonstrate low SWAP and high reconfigurability

42 ENGINEERING↗

DOE OSTI2022

Dynamic, Adaptive, Systems and Materials: Complex, Simple and Emergent Behaviors

This program has been funded by DoE/BES for twenty years. It has moved into and out of various subjects as it has developed, but it has retained its focus on complexity and complex systems. The project has evolved in the following way: Self-Assembly and Biomimetic Self-Assembly: All self-assembling systems depend upon a minimum of two types of interaction: a repulsion and an attraction. For the familiar molecular systems, attractive interactions are typically hydrogen bonds and electrostatic interactions. Repulsive interactions include steric effects, hydrophobic effects (in biological systems), and charge-charge repulsion. We have expanded this repertoire to include surface interactions, magnetic interactions, and others. I list these systems in the order in which we have explored them: i) A key emphasis in current work is in understanding how the movement of ions in a magnetic field (the Lorentz effect) interacts with catalytic systems. We have demonstrated that an acceleration in rate of reduction of CO 2 to CO can be accomplished by applying an external magnetic field. This acceleration is largely due to the application of the Lorentz effect on mass transport at the catalyst’s surface. ii) We have also extensively explored the influence of electrostatics, as exhibited in self-assembling systems, by tribocharging. iii) Another key system involves surface tension effects; examples include interactions between heavy particles floating at a liquid-air interface, and interacting by changes in surface area; interactions of bubbles and bubble rafts, behaviors of bubble trains in microfluidic networks, and behaviors of microorganisms in constraining environments. iv) This work has intentionally de-emphasized biological systems; but it does include some work on protein-ligand interactions and interactions among microorganisms. v) We have also explored applications of some of these effects, these explorations include bubble rafts as diffraction gratings, exploration of the structures that can be obtained by tribocharging and uses of these structures in exploring nucleation and melting of crystals. vi) Although not a major focus of this work, several other topics have emerged and offer opportunities for future work. These include the behavior of bubble trains and bubble rafts in microfluidic systems. A particularly interesting example is the formation of bubble trains that repeat in the alteration of large and small bubbles according to rules we do not presently understand, but are uniquely large-period oscillating systems. These systems offer a new route into understanding the instabilities of the type represented by oscillations. vii) We have also begun exploratory projects on magnetic levitation (especially to determine molecular density), and information storage (in molecules). Magnetic Levitation: Self-assembling and biomimetic systems require both attraction and repulsion. We have used electrostatics (tribocharging), interfacial free-energies (surface tension and related forces) and others. Potential uses include reconfigurable diffraction gratings and liquid lenses; exploration of mechanisms in tribocharging; tunneling in EGaIn junctions; and bubble trains (especially in micro-fluidic systems). Examples of systems representing these topics is included in the following papers: Complexity: Disks rotating at a water-air interface; Benard-Marangoni effects; Vortex-Crystals from spinning magnetic disks (Marangoni effects); EGaIn Electrode to study quantum tunneling; Self-Assembly of electrostatically-charged metallic spheres (electrets); Dynamically reconfigurable lens; Using computational designs of ligands for enzymes; Electrostatic self-assembly by tribocharging; Monodisperse bubble trains in microchannel systems; Inverted dripping faucet; Flames; Printing of micro-organisms to regenerate the “ink” of printing device; Using micro-organisms to move loads (“microoxen”); Motion of bacterial swarms near surfaces; Making monodisperse particles in microfluidic systems; Coding/decoding of information stored in droplet trains in microfluidic networks; Magnetic levitation; and Information storage. i) Tribocharging. The change in focus of this work on electrets from the fundamentals of charging to applications of these materials in studying self-assembly using electrostatic interactions. ii) Bubbles in Microchannels. The realization that systems of bubbles in microchannels represented a major opportunity to study complexity in a very tractable system, and the development of a semi-quantitative theory of this subject. iii) Flames. The growth of “flames” remains an exploratory subject for the research, although their currently relatively little active work involving it ongoing. iv) Systems with Microorganisms. The removal of work in biological systems from this project. Based on work supported in this program, we now have a significant project on the development of microfluidic tools for studying C. elegans (a nematode), but this work was not appropriate for a program focused on complexity, and we developed separate support for it. (It is, however, an example of successful seeding of a new area by BES.) The work on electrets has gone through a period in which a part of the program was the subject of a MURI; the focus of this work was to develop materials that did not charge electrostatically on friction or contact. The MURI is now over, and the work on dynamic self-assembly (supported by BES) is the major focus. “Flames” has also enjoyed synergistic support, in terms of a project supported by DARPA on flame suppression (in the absence of extinguishing agents, using acoustic and electrostatic interactions). This work was helpful in understanding some of the basics of flames, but is entirely distinct from the BES focus in complexity. A growing interest is in the Lorentz effect. The Lorentz effect is the force exerted on charged particles (electrons, ions, charged molecules) when they move through a perpendicular magnetic field. The Lorentz effect is almost ubiquitous in modern technology: examples of applications include electric motors, dynamos, cathode ray tubes, many batteries, and most systems that control electrical currents with magnetic forces. We have begun to explore the Lorentz effect in electrochemical systems and heterogeneous catalytic systems involving charged organic species and inorganic ions. This work is still at an early stage, but initial studies that Lorentz effects can be large when ions move through magnetic fields, or magnetic fields move in the presence of ions.

36 MATERIALS SCIENCE↗