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DOE OSTI2018

Resource Aware Intelligent Network Services (RAINS) Final Technical Report

The Resource Aware Intelligent Network Services (RAINS) project conducted research and developed technologies in the area of cyber infrastructure resource modeling and computation. The goal of this work was to provide a foundation to enable intelligent, software defined services which spanned the network AND the resources which connect to the network. A Multi-Resource Service Plane (MRSP) was defined, which allows resource owners/managers to locate and place themselves from a topology and service availability perspective within the dynamic networked cyberinfrastructure ecosystem. The MRSP enables the presentation of integrated topology views and computation results which can include resources across the spectrum of compute, storage, and networks. The RAINS project developed MSRP includes the following key components: i) Multi-Resource Service (MRS) Ontology/Multi-Resource Markup Language (MRML), ii) Resource Computation Engine (RCE), iii) Modular Driver Framework (to allow integration of a variety of external resources). The MRS/MRML is a general and extensible modeling framework that allows for resource owners to model, or describe, a wide variety of resource types. All resources are described using three categories of elements: Resources, Services, and Relationships between the elements. This modeling framework defines a common method for the transformation of cyber infrastructure resources into data in the form of MRML models. In order to realize this infrastructure datification, the RAINS project developed a model based computation system, i.e. “RAINS Computation Engine (RCE)”. The RCE has the ability to ingest, process, integrate, and compute based on automatically generated MRML models. The RCE interacts with the resources thru system drivers which are specific to the type of external network or resource controller. The RAINS project developed a modular and pluggable driver system which facilities a variety of resource controllers to automatically generate, maintain, and distribute MRML based resource descriptions. Once all of the resource topologies are absorbed by the RCE, a connected graph of the full distributed system topology is constructed, which forms the basis for computation and workflow processing. The RCE includes a Modular Computation Element (MCE) framework which allows for tailoring of the computation process to the specific set of resources under control, and the services desired. The input and output of an MCE are both model data based on MRS/MRML ontology and schema. Some of the RAINS project accomplishments include: Development of general and extensible multi-resource modeling framework; Design of a Resource Computation Engine (RCE) system which includes the following key capabilities; Absorb a variety of multi-resource model types and build integrated models; Novel architecture which uses model based communications across the full stack for all Flexible provision of abstract or intent based user facing interfaces; Workflow processing based on model descriptions; Release of the RCE as an open source software; Deployment of RCE in the University of Maryland/Mid-Atlantic Crossroad ScienceDMZ in prototype mode with a plan under way to transition to production; Deployment at the Argonne National Laboratory DTN Facility in prototype mode; Selection of RCE by the DOE SENSE (SDN for End-to-end Networked Science at the Exascale) project as the basis for their orchestration service.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2018

DISTINCT: Diversity in Solar Talent Through INnovative Curriculum and Training: An Integrated Research and Education Approach towards Creating Diversity and Advancing Utility-Scale Solar Technology

The DISTINCT project research objective is to develop an innovative N-port power converter for a utility-scale PV system that is modular, compact and cost-effective and that will enable the integration of a high-frequency, high-voltage solid-state transformer. The novelty of the proposed research is the electrical power conversion architecture using an N-port converter system that replaces the output 60Hz transformer with an integrated high-frequency low-weight solid-state transformer reducing power electronics and BOS costs to meet SunShot goals through modularity and direct high-voltage interconnection. A challenge in direct integration with a 13.8kV line is the high voltage handling capacity of the converters combined with high efficiency operation. The front-end converter for each port is a Neutral-Point Clamped (NPC) Multi-Level dc-dc Dual-Active Bridge (ML-DAB) which allows Maximum Power Point Tracking (MPPT). The integrated high frequency transformer provides the galvanic isolation between the PV and grid side and also steps up the low dc voltage from PV source. Following the ML-DAB stage, in each port, is an inverter with H-bridge configuration or NPC configuration. N number of NPC inverters’ outputs are cascaded to attain the per-phase line-to-neutral voltage to connect directly to the distribution grid (i.e. 13.8 kV). The cascaded inverters have the inherent advantage of using lower rated devices, smaller filters and low Total Harmonic Distortion (THD) required for PV grid interconnection. Our analysis and simulation results show improved performance on cost, efficiency, service life with zero downtime and THD. A comprehensive control scheme is presented to ensure the maximum power from each port and each phase are sent to the grid. A functional prototype of a 2-port converter with ML-DAB and cascaded H-bridges has been designed, built, and tested in a laboratory setup to verify the target technical metrics. The N-port converter system due to its modular structure with individual control per port can be easily adapted to integrate functionalities that go well beyond the conventional grid support functions and mitigates impacts of forecasted fast ramp downs or ramp ups and single-fault conditions by automatic reconfiguration of the output.

14 SOLAR ENERGY↗

DOE OSTI2018

Analysis of Supply Chains and Advanced Manufacturing of Small Hydropower Systems

Clean energy manufacturing is a sector of increasing importance both in the United States and worldwide. In the United States, it has been presented as an engine for job creation in a sector of the U.S. economy that was hit hard by the 2008-2009 recession. The Clean Energy Manufacturing Analysis Center (CEMAC), sponsored by the U.S. Department of Energy (DOE), conducts credible, objective, industry-relevant, recurring, and consistent analyses of clean energy technologies. In this project, the National Renewable Energy Laboratory (NREL) and the Oak Ridge National Laboratory (ORNL) collaborated in a hydropower manufacturing and supply chain analysis primarily for U.S. small hydropower (SHP) market to provide insights on supply chain constraints, manufacturing cost, location factors, and opportunities for hydropower using advanced manufacturing technologies. The goal of the project is to improve understanding of the manufacturing opportunities in the U.S. hydropower supply chain, specific competitive advantages, and factors for manufacturing location decisions for SHP. These insights could be used to inform investment and research strategies, policy, and other decisions that could promote economic growth and strengthen U.S. manufacturing capabilities. The project scope included a design for manufacturing and assembly (DFMA) costs analysis and a levelized cost of electricity (LCOE) sensitivity analysis of modular, representative SHP turbines. A representative SHP system was chosen to be made up of two 5 megawatt (MW) turbines, as these Kaplan style turbines could be useable for many non-powered dams (NPDs) across the U.S. The sensitivity analysis used the Integrated Design and Assessment (IDEA) tool, which has helped highlight the impact of the turbine equipment cost on the potential capital expenditure (CAPEX) and LCOE of the installed, representative system. In addition, the project team analyzed international tradeflows (e.g., export and import of hydropower turbines and the parts used in hydropower systems). As part of this project, hydropower stakeholder interviews were undertaken to help identify insights related to hydropower manufacturing opportunities for U.S. players in SHP, the country-specific manufacturing advantages in the United States and threats, and key factors behind manufacturing location decisions made by the SHP industry. Key opportunities for the US SHP market and industry include: Foreign export markets such as Chile, China, Columbia, India and Japan, have an estimated 71,795 MW of technical potential that could be serviced with SHP installations. Utilization of existing manufacturing capacity and expertise, along with economies of scale benefits, could result in increased global competitiveness through lower investment requirements and component costs, which could lead to increased U.S. strength in the export of SHP systems and components. Technology advances such as modular turbine designs, standardized units for conduit systems, precast systems, and improved powertrain technologies could help reduce costs, particularly for manufacturing a small number of units. The DOE is also exploring modular hydropower designs, which would integrate standard independently-produced components, validated to meet multiple specifications. Using modules in product design simplifies manufacturing activities such as inspection, testing, assembly, and purchasing, may increase economies of scale to lower total system cost. There are significant opportunities for the use of composites and Additive Manufacturing (AM) for hydropower components, when design changes are made to hydropower systems. By taking advantage of the corrosion resistance, light-weighting and structural benefits, composites and AM could help significantly alter hydropower structures and installations.

13 HYDRO ENERGY↗

DOE OSTI2017

Design and Manufacture of Tunable Permanent Magnet Based Quadrupole for Next Generation Electron-Ion Colliders [Slides]

The goal of this project is to design and construct of a prototype of quadrupole permanent magnet for the magnet transport lattice for an electron-ion collider. The technical objectives are not only to achieve the field gradient of 34.42T/m in the region of interest, at a radius 16.0mm, relative to the quadrupole axis (z-axis), but also lower the unwanted field harmonics below one unit out of 10,000, especially for Sextupole, Octupole, and Decapole components. The innovation is 1) modular design for cost saving, and 2) adjusting mechanism of each modular magnet for field tuning. The 300-mm long, quadrupole magnet assembly consists of 12 modules of 100-mm long magnet. The magnetic field tuning was implemented by two ways: first, adjusting mechanically the pole tip position for a majority of field tuning, and second, applying the passive shims for a fine field tuning. The magnetic design and optimization of the quadrupole magnet was performed using finite element analysis. The permanent magnet choice was EEC-N44SH grade with the minimum coercivity of 987kA/m (12.4kOe), which has enhanced resistance to demagnetization due to the radiation. The 3D computer-aided design of quadrupole magnet assembly was created based on the magnetic design results. The overall dimensions are 514x500x300mm and its weight is ~470kg (1,050lbs). The weight and volume were minimized through the optimization. Electron Energy Corporation’s vertically integrated manufacturing capability and over 48-years magnet production experience enabled us to implement a “fast prototyping” process and build two quadrupole magnets. Using wire EDM machines, the pole tip profile was precisely fabricated within ±25µm tolerance. The field gradient 34.22T/m was measured using the real time data acquisition system and a 3D Hall probe mounted on the precision XYZ station with the resolution of 1µm (0.00004”). The magnetic field harmonics were measured using a harmonic coil at the Brookhaven National Laboratory, Upton, NY. Faro® laser tracker was used to track the position of each quadrupole while adjusting the pole location mechanically. The normal harmonics were measured up to 20-poles. Overall the 2 nd magnet test data is better than the 1st magnet because of a better symmetry. The adjusting pole technique was proved effective to lower the Sextupole harmonics from -3.14 to -0.71 unit. The Octupole harmonics was improved from -5.67 to -3.45 unit, still not satisfactory. It is found that the proposed approach is not practical and efficient in terms of the mass production although the modular concept can save the manufacturing cost. Another finding is in reality it is hard to adjust mechanically due to the limit of laser tracker resolution .001” and tweak magnetically the field due to the limited harmonics data. Importantly the Brookhaven National Laboratory’s harmonics data doesn’t indicate where the strong/weak field position, which requires another field map test at each measurement. To resolve these, two alternative solutions are introduced; 1) electromagnet correcting coils and 2) 8-pieces quadrupole magnet.

43 PARTICLE ACCELERATORS↗

DOE OSTI2019

Initial DOE SNF Standardized Canister Storage Configuration Alternatives Study

This study looks at storage configuration alternatives for United States Department of Energy (DOE) Spent Nuclear Fuel (SNF) Standardized Canisters loaded with DOE-owned SNF. The focus of the study is for the DOE SNF Standardized Canisters that would be packaged in the Idaho Nuclear Technology and Engineering Center (INTEC) area at Idaho National Laboratory (INL), but its general findings are useful across the DOE Complex. The study considered storage in existing facilities, modified existing facilities, new facilities, and new modular systems. The existing INTEC facilities considered in the study include the CPP-603 Irradiated Fuel Storage Facility (IFSF), the CPP-749 Underground Fuel Storage Facility (UFSF), the CPP-666 SNF Wet Storage Basin Facility, CPP-1774 Three Mile Island (TMI) Independent Spent Fuel Storage Facility (ISFSF), and the CPP-2707 Cask Pad Facility. The new facilities considered in the study include the Foster Wheeler designed Idaho Spent Fuel (ISF) Independent Spent Fuel Storage Installation (ISFSI) and some conceptual designs. The new modular systems considered in the study include Holtec International’s HI-STAR/HI-STORM, NAC International’s MAGNASTOR/UMS/MPC and Orano TN’s MATRIX/NUHOMS. Based on considerations of various factors, including but not limited to capacity, impact to facility operations, capital costs, expenditure rate, licensing issues, agreements with the State of Idaho, and road ready conditions, new modular storage systems from commercial vendors may have clear advantages over other storage alternatives. This is further supported by recent experience with West Valley Demonstration Project (WVDP) storage project for High Level Waste Glass canisters.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

DOE OSTI2020

Heat Integration Optimization and Dynamic Modeling Investigation for Advancing the Coal-Direct Chemical Looping Process

The purpose of the project is to address the optimization and startup operation of a modular coal direct chemical looping (CDCL) combustion system integrated with a steam cycle for power generation to reduce the risks involved in further scale-up of the technology. The modular reactor design of the CDCL process provides flexibility in the fabrication of the reactor and in its operating capacity (i.e. turndown ratio) at the cost of a more complex heat exchange network (HEN) design and integration. To address the technology gaps and advance the efficiency and economic feasibility of the CDCL technology, the project will perform a detailed and comprehensive analysis of the integration of a modular CDCL reactor system and a steam cycle system under both static and transient conditions via HEN process performance simulations and system dynamic modeling, respectively. The scope of work consists of 1) Experimental and computational studies of the CDCL combustor reactor 2) Comprehensive static (i.e. steady-state) system HEN design analysis in CDCL 550 MWe commercial unit for power generation and 3) Dynamic modeling of site specific design of 10MWe CDCL large pilot plant. The project team has successfully developed and validated a kinetic model for the oxidation of oxygen carriers in the combustor using the unreacted shrinking core model (UCSM). The model is capable of capturing the oxidation kinetics of fully or partially reduced oxygen carrier particles. A computational fluid dynamics (CFD) model is developed to simulate the hydrodynamics, heat transfer, and chemical reaction occurring in the CDCL combustor. The model is developed in MFIX and ANSYS Fluent. Key aspects of CDCL combustor operation, including heat transfer, oxygen carrier oxidation, and the transport of oxygen carrier particles, are simulated using this CFD model. The HEN for a commercial scale 550 MWe CDCL power plant is simulated and optimized using ASPEN Plus. Practical design considerations are incorporated based on industrial experiences. The performance and cost for the commercial CDCL plant is updated based on these analyses. A dynamic model for the 10 MWe CDCL pilot plant is developed in ProTRAX simulation software. The model is based on the pilot plant design developed in project DE-FE0027654 “10 MWe CDCL Large Pilot Plang – Pre-FEED Study” and the steam cycle data obtained from Dover Light & Power plant. The transient behaviors during pilot plant load variation are simulated using the dynamic model.

01 COAL, LIGNITE, AND PEAT↗

DOE OSTI2022

The waterSHED Model: User Guide

The ideal design and operation of small hydropower plants is a complex optimization problem with economic, social, and environmental objectives. The waterSHED (Water Allocation Tool Enabling Rapid Small Hydropower Environmental Design) model is a user-friendly tool that allows hydropower stakeholders to model the trade-offs among these objectives using the Standard Modular Hydropower (SMH) framework. The SMH framework employs modular technologies that can be represented as blackbox objects and combined within a river to create a hydropower facility. For a given site, the waterSHED model aims to determine which modules should be placed in a facility and how those modules should be operated. This user guide describes how to use the graphical user interface and related functionalities. This document also summarizes the background research and mathematical formulations that are explained indepth in the accompanying doctoral dissertation. This model is an early step toward a new hydropower design process that employs standardization and modularity to reduce costs, development timelines, and challenges regarding social and environmental mitigation measures for low-head, small hydropower development. The waterSHED model is a Python application that will require the ability to download a GitHub repository, import the necessary packages, and run a set of Python script files using an integrated development environment. The script produces a graphical user interface to coordinate inputs, simulate operation, and visualize results, so no coding experience is needed once the script is running. Additionally, the waterSHED Workbook is a Microsoft Excel file that works with the Python script to facilitate data entry

13 HYDRO ENERGY↗

DOE OSTI2022

Tearing parameter failure integration with the multilevel solver.

The tearing parameter criterion and material softening failure method currently used in the multilinear elastic-plastic constitutive model was added as an option to modular failure capabilities. The modular failure implementation was integrated with the multilevel solver for multi-element simulations. Currently, this implementation is only available to the J 2 plasticity model due to the formulation of the material softening approach. The implementation compared well with multilinear elastic-plastic model results for a uniaxial tension test, a simple shear test, and a representative structural problem. Necessary generalizations of the failure method to extend it as a modular option for all plasticity models are highlighted.

36 MATERIALS SCIENCE↗

DOE OSTI2023

Prototyping the Light Detection of the DUNE Near Detector

The Deep Underground Neutrino Experiment (DUNE) is a long-baseline neutrino oscillation experiment with a 70kt liquid argon time projection chamber (LAr TPC) at the Far Detector complex at the Sanford Underground Research Facility (SURF) and a Near Detector (ND) complex planned for the Fermi National Accelerator Laboratory. The ND complex plans for three detector subsystems, including a modular LAr TPC comprised of 35 optically segregated modules. The modular detector design required the development a novel dielectric light readout, the ArCLight technology, which can be operated in a high voltage environment and has a large active surface. A demonstrator of four modular detectors, DUNE ND-LAr 2x2, will operate in 2023 in Fermilab's NuMI beam. After the construction of the modules was completed, they were successfully operated and commissioned in liquid argon using cosmic-ray muons at the University of Bern. This talk will discuss the designs of the light readout systems used in these modules with focus on the construction and commissioning of the ArCLights as well as the performance of the LRS during the tests at Bern.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

DOE OSTI2024

Failure Criteria and Temperature Dependent Elastic Constants in the 3-D Elastic Orthotropic Model

Recent points of emphasis in the Library of Advanced Materials for Engineering (LAMÉ) have been to enable flexibility in formulations via the adoption of a variety of modular frameworks. While more established phenomenologies such as plasticity and viscoelasticity have been considered, elastically orthotropic models (e.g. elastic_3D_orthotropic) have not. For the elasticity component, not much can be modularized. However, a potential feature of interest would be the evaluation of failure criteria to consider the possibility of damage. Many such forms exist in the literature providing a good basis for modularity.

36 MATERIALS SCIENCE↗

DOE OSTI2025

SMR Containment Cable and Electrical Penetration Assembly System

GAIN Project CRADA Number NFE-21-08839, entitled “SMR Containment Cable and EPA System” was initiated by the partnership of Oak Ridge National Laboratory (ORNL) and Engineered Solutions Group (ESG) to test an ESG-designed Electrical Penetration Assembly and Containment Cabling System Qualified for not only SMR technologies, but also Advanced Reactors design. An Electrical Penetration Assembly (EPA) is a component used to allow electrical power and signal conductors as well as optical fiber through the nuclear reactor’s containment structure while maintaining a pressure barrier. The EPA ensures the containment's integrity both during the normal operation and also accident conditions by providing a sealed passage for power and signals. This project was undertaken to fill the equipment gap of EPA and Cabling Systems that require much more severe environmental requirements than legacy plant applications present due to their smaller containment volumes that result in high energy densities compared to legacy designs. This high energy density results in severe accident environments and also more severe normal operating conditions.This document describes cost effective approaches to qualify a unique EPA for Small Modular Reactor (SMR) technologies as legacy LWR EPA technologies will likely have inherent material performance insufficiencies. The DBA profiles for SMRs (and some Advanced Reactor Technologies) are more severe than the legacy qualification requirements making the design of the qualification testing system challenging as the temperatures and pressures can approach the limits permitted by ASME Pressure Vessel Code, as well as accident temperatures exceeding the capability of polymeric gaskets and dielectrics. Small Modular Reactors are designed to have, as the name suggests, modularity which implies sized for factory fabrication and subsequent assembly at the power plant site. SMR containment is much smaller than a legacy Light Water Reactor containment. The containment walls are likely to be comprised of stainless steel. Qualifying Electrical Penetration Assemblies (EPAs) through these steel vessels are of interest in this work. Methods are presented here that discuss critical safety and cost effectiveness for these SMR EPA’s test systems.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

DOE OSTI2026

Development of Advanced, Radiation Resistant, Optical-based Detector Technology for Future Experiments.

The primary objective of this project has been to advance the design of high-performance electromagnetic (EM) calorimeters for future particle physics experiments, to identify and measure the timing, position and energy of electrons, positrons and gamma rays, particularly in high-luminosity environments with intense radiation and pileup conditions. To meet such challenges, the proposed research has focused on the development of ultra-compact, radiation-hard calorimeter modules, to provide excellent timing, spatial, and energy resolution. The work aligns with the DOE’s Basic Research Needs (BRN) for High Energy Physics (HEP) Instrumentation and the research team contributes actively to the Coordinating Panel on Advanced Detectors (CPAD) RDC9 calorimetry collaboration in the USA and the European Committee on Future Accelerators (ECFA) DRD-CALO calorimetry collaboration at CERN, the European Laboratory for Particle Physics located in Geneva, Switzerland. The research builds on the RADiCAL (radiation-hard, ultra-compact) modular sampling calorimeter approach, developed by the research team, which employs dense and very bright optical materials such as LYSO:Ce scintillator plates that are interleaved with very dense tungsten plates to minimize detector size while optimizing performance. The modules are comparable in size to a human index finger, dimensionally 14 mm x 14 mm in cross section and 135 mm in length. And despite the small size, the structure is capable of providing excellent timing and energy resolution. This is facilitated through the use of specialized quartz capillaries filled with wavelength-shifting filaments, positioned at various depths along the length of a module, to collect and guide light signals to silicon photomultipliers (SiPMs) which detect and convert the optical signals to electronic signals for analysis. The primary goals of this project have been: (1) Achieve a timing resolution to σ t ≤ 30 ps for high-energy electrons and photons, important for their association with specific events produced in colliding-beam experiments and for the detection of decays-in-flight of long-lived particles. The project has achieved this goal in beam tests of a single RADiCAL module at CERN, during which a timing resolution of σ t = 27 ps was measured for electrons of energy E = 150 GeV. Based upon a mathematical fit to the data measured over a broad energy range from low energy to high energy, a resolution of σ t ≤ 18 ps has been estimated for electrons of very high (TeV) energy. From these measurements and with further expected technical improvements, the timing resolution should reach σ t ≤ 10 ps, important for searches for discovery physics in upcoming and future experiments. (2) Achieve an energy resolution of σ E / E ≤ 10% / $\sqrt{E}$. The project has yet to achieve this goal, but is close to it, having measured a value of σ E / E ≤ 15.9% / $\sqrt{E}$ using a modular array. Ultimately, the resolution goal is expected to be reached by adjustments to material thicknesses within the modules, which will improve the sampling fraction to measure more precisely the shower energy for lower energy particles. The versatility of the modular RADiCAL approach enables the testing of advanced materials, photosensors and electronics, developed in collaboration with CPAD RDC and ECFA DRD-CALO groups. The structure can distinguish electrons, positrons and gamma rays from hadrons and muons and beam-induced backgrounds, making it a valuable tool in a variety of detector environments, including future circular colliders (FCC-ee, FCC-hh) proposed for the European Laboratory for Particle Physics (CERN), the muon-collider proposed for Fermi National Accelerator Laboratory (Fermilab), and searches for new physics in beam-dump, fixed target and forward-physics experiments. And, while designed with particle physics applications in mind, the technologies developed in this project have the potential for application more broadly in particle and nuclear physics, materials science, and medical physics, underscoring the far-reaching potential of this line of instrumentation research and development.

47 OTHER INSTRUMENTATION↗

DOE OSTI2019

Recent results from the Majorana Demonstrator

The MAJORANA DEMONSTRATOR is an experiment constructed to search for Neutrinoless double-beta decay in 76Ge and to demonstrate the feasibility to deploy a large-scale experiment in a phased and modular fashion. It consists of two modular arrays of natural and 76Ge-enriched germanium detectors totalling 44.1 kg, operating on the 4850’ level of the Sanford Underground Research Facility in Lead, South Dakota, USA. Data acquisition in the commissioning phase began in June 2015, followed by data acquisition with the full detector array in August 2016. The ultralow background and record energy resolution achieved by the MAJORANA DEMONSTRATOR enable a sensitive neutrinoless double-beta decay search, as well as additional searches for physics beyond the Standard Model. I will discuss the design elements that enable these searches, along with our latest results, focusing on the neutrinoless double-beta decay search. I will also discuss the current status and the future plans of the MAJORANA DEMONSTRATOR, as well as the plans for a future tonne-scale 76Ge experiment.

Myslik, Jordan W.↗

DOE OSTI2022

Characterization of the Biomass Degrading Enzyme GuxA from Acidothermus cellulolyticus

Microbial conversion of biomass relies on a complex combination of enzyme systems promoting synergy to overcome biomass recalcitrance. Some thermophilic bacteria have been shown to exhibit particularly high levels of cellulolytic activity, making them of particular interest for biomass conversion. These bacteria use varying combinations of CAZymes that vary in complexity from a single catalytic domain to large multi-modular and multi-functional architectures to deconstruct biomass. Since the discovery of CelA from Caldicellulosiruptor bescii which was identified as one of the most active cellulase so far identified, the search for efficient multi-modular and multi-functional CAZymes has intensified. One of these candidates, GuxA (previously Acel_0615), was recently shown to exhibit synergy with other CAZymes in C. bescii, leading to a dramatic increase in growth on biomass when expressed in this host. GuxA is a multi-modular and multi-functional enzyme from Acidothermus cellulolyticus whose catalytic domains include a xylanase/endoglucanase GH12 and an exoglucanase GH6, representing a unique combination of these two glycoside hydrolase families in a single CAZyme. These attributes make GuxA of particular interest as a potential candidate for thermophilic industrial enzyme preparations. Here, we present a more complete characterization of GuxA to understand the mechanism of its activity and substrate specificity. In addition, we demonstrate that GuxA exhibits high levels of synergism with E1, a companion endoglucanase from A. cellulolyticus. We also present a crystal structure of one of the GuxA domains and dissect the structural features that might contribute to its thermotolerance.

09 BIOMASS FUELS↗

DOE OSTI2022

Module-Fluidics: Building Blocks for Spatio-Temporal Microenvironment Control

Generating the desired solute concentration signal in micro-environments is vital to many applications ranging from micromixing to analyzing cellular response to a dynamic microenvironment. We propose a new modular design to generate targeted temporally varying concentration signals in microfluidic systems while minimizing perturbations to the flow field. The modularized design, here referred to as module-fluidics, similar in principle to interlocking toy bricks, is constructed from a combination of two building blocks and allows one to achieve versatility and flexibility in dynamically controlling input concentration. The building blocks are an oscillator and an integrator, and their combination enables the creation of controlled and complex concentration signals, with different user-defined time-scales. We show two basic connection patterns, in-series and in-parallel, to test the generation, integration, sampling and superposition of temporally-varying signals. All such signals can be fully characterized by analytic functions, in analogy with electric circuits, and allow one to perform design and optimization before fabrication. Such modularization offers a versatile and promising platform that allows one to create highly customizable time-dependent concentration inputs which can be targeted to the specific application of interest.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2023

Neutrino Flavor Model Building and the Origins of Flavor and CP Violation

The neutrino sector offers one of the most sensitive probes of new physics beyond the Standard Model of Particle Physics (SM). The mechanism of neutrino mass generation is still unknown. The observed suppression of neutrino masses hints at a large scale, conceivably of the order of the scale of a rand unified theory (GUT), which is a unique feature of neutrinos that is not shared by the charged fermions. The origin of neutrino masses and mixing is part of the outstanding puzzle of fermion masses and mixings, which is not explained ab initio in the SM. Flavor model building for both quark and lepton sectors is important in order to gain a better understanding of the origin of the structure of mass hierarchy and flavor mixing, which constitute the dominant fraction of the SM parameters. Recent activities in neutrino flavor model building based on non-Abelian discrete flavor symmetries and modular flavor symmetries have been shown to be a promising direction to explore. The emerging models provide a framework that has a significantly reduced number of undetermined parameters in the flavor sector. In addition, such a framework affords a novel origin of CP violation from group theory due to the intimate connection between physical CP transformation and group theoretical properties of non-Abelian discrete groups. Model building based on non-Abelian discrete flavor symmetries and their modular variants enables the particle physics community to interpret the current and anticipated upcoming data from neutrino experiments. Non-Abelian discrete flavor symmetries and their modular variants can result from compactification of a higher-dimensional theory. Pursuit of flavor model building based on such frameworks thus also provides the connection to possible UV completions: in particular, to string theory. We emphasize the importance of constructing models in which the uncertainties of theoretical predictions are smaller than, or at most compatible with, the error bars of measurements in neutrino experiments. While there exist proof-of-principle versions of bottom-up models in which the theoretical uncertainties are under control, it is remarkable that the key ingredients of such constructions were discovered first in top-down model building. We outline how a successful unification of bottom-up and top-down ideas and techniques may guide us towards a new era of precision flavor model building in which future experimental results can give us crucial insights into the UV completion of the SM.

Almumin, Yahya (ORCID:0000000196396772)↗

DOE OSTI2024

Light-inducible protein degradation in E. coli with the LOVdeg tag

Molecular tools for optogenetic control allow for spatial and temporal regulation of cell behavior. In particular, light-controlled protein degradation is a valuable mechanism of regulation because it can be highly modular, used in tandem with other control mechanisms, and maintain functionality throughout growth phases. Here, we engineered LOVdeg, a tag that can be appended to a protein of interest for inducible degradation in Escherichia coli using blue light. We demonstrate the modularity of LOVdeg by using it to tag a range of proteins, including the LacI repressor, CRISPRa activator, and the AcrB efflux pump. Additionally, we demonstrate the utility of pairing the LOVdeg tag with existing optogenetic tools to enhance performance by developing a combined EL222 and LOVdeg system. Finally, we use the LOVdeg tag in a metabolic engineering application to demonstrate post-translational control of metabolism. Together, our results highlight the modularity and functionality of the LOVdeg tag system and introduce a powerful new tool for bacterial optogenetics.

59 BASIC BIOLOGICAL SCIENCES↗

DOE OSTI2024

Light-inducible protein degradation in E. coli with the LOVdeg tag

Tague, Nathan (ORCID:0000000281146700)↗