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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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At least 595 records · Page 33

Adaptive Circuit Learning for Quantum Metrology

Quantum sensing is an important application of emerging quantum technologies. We explore whether a hybrid system of quantum sensors and quantum circuits can surpass the classical limit of sensing. In particular, we use optimization techniques to search for encoder and decoder circuits that scalably improve sensitivity under given application and noise characteristics. Furthermore, our approach uses a variational algorithm that can learn a quantum sensing circuit based on platform-specific control capacity, noise, and signal distribution. The quantum circuit is composed of an encoder which prepares the optimal sensing state and a decoder which gives an output distribution containing information of the signal. We optimize the full circuit to maximize the Signal-to-Noise Ratio (SNR). Furthermore, this learning algorithm can be run on real hardware scalably by using the "parameter-shift" rule which enables gradient evaluation on noisy quantum circuits, avoiding the exponential cost of quantum system simulation. We demonstrate up to 13.12x SNR improvement over existing fixed protocol (GHZ), and 3.19x Classical Fisher Information (CFI) improvement over the classical limit on 15 qubits using IBM quantum computer. More notably, our algorithm overcomes the decreasing performance of existing entanglement-based protocols with increased system sizes.

42 ENGINEERING↗

Reinforcement Learning Control for Buildings Co-Optimizing Energy, Comfort, and Indoor Air Quality: An Annual Assessment

Efficient control of Heating, Ventilation, and Air Conditioning (HVAC) systems is crucial for optimizing energy use and maintaining indoor comfort in buildings. Traditional control methods, such as PID control, cannot handle energy use trade-offs among multiple components in the building energy system at a supervisory level. Reinforcement learning (RL) presents a promising solution, offering adaptive and data-driven control strategies that optimize performance over time. However, RL also faces several challenges, including the conflicts encountered in co-optimizing energy savings, occupant comfort, and indoor air quality, and the requirement for extensive interactions with the environment in training. We proposed a flexible simulation platform that integrates a hybrid model for RL training and designed an RL agent to control the entire central HVAC system, focusing on co-optimizing energy consumption, thermal comfort, and indoor air quality ($\text{CO}_{2}$ and PM2.5 concentrations). Finally, we evaluated the RL agent's performance over an annual cycle. Our findings indicate that the RL agent can effectively manage the HVAC system with 14.7 % energy savings annually and balance multiple objectives, which demonstrates significant potential for improving HVAC system control and sustainability in buildings.

Guo, Fangzhou↗

Optimizing digital 8mm drive performance

The experience of attaching over 350,000 digital 8mm drives to 85-plus system platforms has uncovered many factors which can reduce cartridge capacity or drive throughput, reduce reliability, affect cartridge archivability and actually shorten drive life. Some are unique to an installation. Others result from how the system is set up to talk to the drive. Many stem from how applications use the drive, the work load that's present, the kind of media used and, very important, the kind of cleaning program in place. Digital 8mm drives record data at densities that rival those of disk technology. Even with technology this advanced, they are extremely robust and, given proper usage, care and media, should reward the user with a long productive life. The 8mm drive will give its best performance using high-quality 'data grade' media. Even though it costs more, good 'data grade' media can sustain the reliability and rigorous needs of a data storage environment and, with proper care, give users an archival life of 30 years or more. Various factors, taken individually, may not necessarily produce performance or reliability problems. Taken in combination, their effects can compound, resulting in rapid reductions in a drive's serviceable life, cartridge capacity, or drive performance. The key to managing media is determining the importance one places upon their recorded data and, subsequently, setting media usage guidelines that can deliver data reliability. Various options one can implement to optimize digital 8mm drive performance are explored.

Schadegg, Gerry↗

OPER: Optimality-Guided Embedding Table Parallelization for Large-scale Recommendation Model

With the sharp increasing volume of user data, Deep Learning Recommendation Model (DLRM) becomes an indispensable infrastructure in large technology companies. However, large-scale DLRM on the multi-GPU platform is still inefficient due to unbalanced workload partitioning and intensive inter-GPU communication. To this end, we propose OPER, an OPtimality guided Embedding table placement for large-scale Recommendation model training and inference. OPER explores the potential of mitigating remote memory access latency in DLRM through fine-grained embedding table placement. Specifically, OPER proposes a theoretical modeling that builds up the relationship between EMT placement and the embedding communication latency in both training and inference. OPER proves the NP hardness of finding the optimal embedding table placement and proposes a heuristic algorithm that yields near optimal placement. OPER implements a SHMEM-based embedding table training system and a unified embedding index mapping to support fine-grained embedding table sharding and placement. Comprehensive experiments reveal that OPER achieves on average 3.4× and 5.1× speedup on training and inference respectively over state-of-the-art DLRM frameworks.

Wang, Zheng↗

Adorym: a multi-platform generic X-ray image reconstruction framework based on automatic differentiation

We describe and demonstrate an optimization-based X-ray image reconstruction framework called Adorym. Our framework provides a generic forward model, allowing one code framework to be used for a wide range of imaging methods ranging from near-field holography to fly-scan ptychographic tomography. By using automatic differentiation for optimization, Adorym has the flexibility to refine experimental parameters including probe positions, multiple hologram alignment, and object tilts. It is written with strong support for parallel processing, allowing large datasets to be processed on high-performance computing systems. We demonstrate its use on several experimental datasets to show improved image quality through parameter refinement.

36 MATERIALS SCIENCE↗

Development of Integrated Mechanical Pods

This presentation highlights early wins, updated progress, and upcoming developments on ‘national-scale shared development platform’ for rapid prototyping, testing and validation of various integrated Mechanical Pod solutions and form factors. Such pod solutions consist of a set of all-electric heat pump mechanical equipment that have integrated functionalities through built-in controls, with heating, cooling, hot water, ventilation (including energy recovery), electrical management, and battery storage within a single package. The presentation draws inspiration from the success of bathroom pods in the US modular construction industry, UK’s efforts with unitizing mechanical systems as ‘utility cupboards’, and VEIC’s early wins in design-build of all-electric Mechanical Pod solutions in Vermont. The presentation includes researchers and partners involved with NREL in Design for Manufacturing and Assembly (DfMA), Virtual Design and Construction (VDC), and digital twin based process optimization modeling of integrated Mechanical Pod solutions. The presentation aims to highlight early wins from such a platform and how various physical and virtual tools are currently being employed as part of NREL’s ongoing multi-year project funded by US DOE. Streamlined procurement, coordination, installation, and O&M of Mechanical Pods such that the majority of work is delegated to the off-site modular factory implies monetary savings. Such a seemingly basic shift in location of the construction process leads to great reduction in complexity, first cost, lead time, and waste, and greater opportunities for innovative compartmentalization and integration of mechanical systems appropriately sized for each apartment or hotel guest room. However, past studies on unitized combination systems show that high installation costs, maintenance issues, challenges with system integration, limitations in existing electrical infrastructure, and lack of architecturally appealing solutions are key barriers. NREL and partners aim to address key barriers through DfMA approach, rapid prototyping and testing, and digital twin process optimization modeling. The presentation is also a call for interested entities to partner with NREL as part of the national-scale development platform, help drive both product and process innovation, and encourage open source sharing of learnings. Learning objectives include (1) learn about the vision of national-scale shared development platform for process-product innovation on integrated mechanical pod solutions and how to get involved, (2) gain an understanding of the components of an all-electric, high performance home, design characteristics and equipment included in an all-electric mechanical pod, integration of mechanical systems within a modular factories’ assembly line, and the system’s commissioning, operation and maintenance. The pre-planning and coordination with the factory and sub-contractors are also highlighted, (3) gain an understanding of using process modeling tools to quantify resource-constrained performance of operations (such as integration of energy efficiency strategies) to manufacture modules of varying design, (4) gain insights on virtual design, rapid prototyping, and emulated testing of various form factors across different climatic conditions. The need for such preliminary testing with open source sharing of learnings will also be highlighted.

30 DIRECT ENERGY CONVERSION↗

Surpassing millisecond coherence in on chip superconducting quantum memories by optimizing materials and circuit design

The performance of superconducting quantum circuits for quantum computing has advanced tremendously in recent decades; however, a comprehensive understanding of relaxation mechanisms does not yet exist. In this work, we utilize a multimode approach to characterizing energy losses in superconducting quantum circuits, with the goals of predicting device performance and improving coherence through materials, process, and circuit design optimization. Using this approach, we measure significant reductions in surface and bulk dielectric losses by employing a tantalum-based materials platform and annealed sapphire substrates. With this knowledge we predict the relaxation times of aluminum- and tantalum-based transmon qubits, and find that they are consistent with experimental results. We additionally optimize device geometry to maximize coherence within a coaxial tunnel architecture, and realize on-chip quantum memories with single-photon Ramsey times of 2.0 – 2.7 ms, limited by their energy relaxation times of 1.0 – 1.4 ms. These results demonstrate an advancement towards a more modular and compact coaxial circuit architecture for bosonic qubits with reproducibly high coherence.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Method to determine the optimal parameters of the Arecibo 46.8-MHz antenna system

The spherical reflector at the Arecibo Observatory (AO) offers great advantages for the design of simple and inexpensive high performance steerable antennas at VHF. Light and small feeds have the added benefit that they can be quickly installed in the Arecibo platform. It is important to evaluate the performance of any given feed including the effects of the spherical reflector. The optimization is emphasized of two parameters, namely, the distance below the focal point of the reflector and the beam width of a point feed. For the design of the feed at 46.8 MHz at the AO there were other requirements independent of MST (mesosphere stratosphere troposphere) work. The design of the primary array is discussed along with its performance with the AO spherical reflector.

Ierkic, H. M.↗

Advances in Multi-Physics Modeling for Parallel Finite Element Code Suite ACE3P

SLAC developed ACE3P code suite is a comprehensive set of parallel finite-element codes for multi-physics modeling of particle accelerators. Running on massively parallel computer platforms for high fidelity and high accuracy simulation, ACE3P enables rapid virtual prototyping of accelerator and RF component design, optimization and analysis. Furthermore, recent advances of ACE3P have been focused on the implementation of advanced numerical algorithms, enhancement of multi-physics capabilities, and improvement of code performance on state-of-the-art high performance computing (HPC) platforms for large-scale RF modeling in accelerator applications and beyond. In this paper, we will present a nonlinear electromagnetic (EM) eigensolver for damping calculation of resonant modes for cavities coupled with waveguides, the thermal solver for accurate evaluation of heat loads in superconducting RF (SRF) cavity power coupler, the elastic solver for investigation of SRF cavity cryomodule (CM) bowing due to thermal effect, the frequency domain mechanical solver for studying SRF cavity mechanical oscillation modes, the particle tracking code for dark current simulation in SRF CM using a hybrid MPI+OpenMP parallel programing model, the time domain solver for high fidelity modeling of EM wave propagation for medical device in human body.

97 MATHEMATICS AND COMPUTING↗

Accelerating Engineered Microbe Optimization through Machine Learning and Multi-Omics Datasets [Abstract]

The Agile Biofoundry (ABF) is a multi-national lab consortium funded by the DOE Bioenergy Technologies Office that has developed a biofoundry enabling the rapid deployment of bioproducts into the market. The ABF is a flexible platform that can adjust to the needs of numerous government, academic and industrial partners, thus enabling them to rapidly develop and optimize the production of a wide range of bioproducts. To demonstrate this capability, three ABF labs (NTESS, LBNL, and PNNL) have collaborated with the biomanufacturer Lygos, Inc. to use the ABF to demonstrate a high-throughput Design-Build-Test-Learn (DBTL) engineering cycle incorporating multi-omics analysis and machine learning with best in industry cycle times.

60 APPLIED LIFE SCIENCES↗

ISS Utilization for Exploration-Class Missions

Exercise countermeasures are the most commonly utilized approach for maintaining the health and performance of astronauts during spaceflight missions. However, International Space Station (ISS) exercise countermeasure hardware reliability and prescriptions are not at a point of departure to support exploration-class missions. The JSC Exercise Countermeasures Project (ECP) plans to use ISS as a research and hardware evaluation platform to define and validate improved exercise hardware, prescriptions, and monitoring strategies to support crewmember operations on the Moon and Mars. The ECP will partner with JSC's Space Medicine Division to standardize elements of ISS exercise prescriptions to better understand their efficacy and to propose modified prescriptions for implementation that may be used in the crew exploration vehicle and/or lunar habitat. In addition, evaluations of the ISS treadmill harness will be conducted to define and improve fit and function, and assess the next generation medical monitoring devices such as the portable unit for metabolic analysis and the muscle atrophy research and exercise system for completion of periodic fitness evaluations during lunar and Mars travel. Finally, biomechanical data from ISS crew exercise sessions will be obtained to better understand loading and restraint systems, and identify the physiologic requirements during ISS extravehicular activities that may be analogous to extended excursions from the lunar habitat. It is essential to optimize exercise prescriptions, hardware, and monitoring strategies for exploration initiatives using ISS as a platform before the planned retirement of the Shuttle in 2010 and the declining NASA emphasis on ISS to maximize knowledge before embarking on travel to the Moon and Mars.

FIncke, R.↗

Performance characterization of scientific workflows for the optimal use of Burst Buffers

Scientific discoveries are significantly rely on the analysis of large volumes of data from observations and simulations of complex phenomena. Scientists compose the complex analyses as workflows and execute them on large-scale HPC systems. The workflow structures are in contrast with monolithic single simulations that have often been the primary use case on HPC systems. At the same time, new storage paradigms such as Burst Buffers are becoming available on HPC platforms. In this paper, we analyze the performance characteristics of a Burst Buffer and two representative scientific workflows with the aim of optimizing the usage of a Burst Buffer, extending our previous analyses (Daley et al., 2016). Our key contributions are (a) developing a performance analysis methodology pertinent to Burst Buffers, (b) improving the use of a Burst Buffer in workflows with bandwidth-sensitive and metadata-sensitive I/O workloads, (c) highlighting the key data management challenges when incorporating a Burst Buffer in the studied scientific workflows.

97 MATHEMATICS AND COMPUTING↗

Self-driving thin film laboratory: autonomous epitaxial atomic-layer synthesis via real-time computer vision analysis of electron diffraction

Emerging materials science platforms with the ability to make autonomous decisions on the fly are fundamentally changing the outlook and protocols for materials optimization and discovery. Because AI-driven self-navigating schemes can effectively reduce the total number of iterations needed to arrive at the "answer" (i.e. the best stochiometric composition for a desired physical property, optimum materials processing parameters, etc.) by significant margins, they have the potential to revolutionize materials and chemical manufacturing processes at large in research laboratory settings as well as in industrial plants. Here, we demonstrate a successful implementation of real-time closed-loop autonomous navigation of a multi-dimensional materials synthesis parameter space for fabricating phase-pure epitaxial films of a metastable phase of a functional oxide in a combinatorial pulsed laser deposition chamber. Sequential epitaxial growth iterations in search of the optimized recipe to stabilize the desired crystal phase were performed using frame-by-frame quantitative computer vision analysis of reflection high-energy electron diffraction (RHEED) images of the unit-cell level film being deposited. The autonomous scheme regularly resulted in > 30-fold reduction in the number of required experiments compared to a comprehensive mapping of the parameter space. The real-time workflow developed here can be readily extended to a variety of thin film synthesis platforms opening the door for self-driving atomic-level materials design as well as autonomous optimization of semiconductor manufacturing.

36 MATERIALS SCIENCE↗

Systems Biology-Based Optimization of Extremely Thermophilic Lignocellulose Conversion to Bioproducts

This was a collaborative project involving researchers at the University of Georgia, North Carolina State University, Sanford‐Burnham‐Prebys Med. Discovery Institute and the University of Rhode Island. The over-arching goal was to demonstrate that non-model microorganisms, specifically extreme thermophiles, can be a strategic metabolic engineering platform for industrial biotechnology. We engineered the most thermophilic lignocellulose-degrading organism known, Caldicellulosiruptor bescii (Cbes) , which grows optimally near 80°C, and the most thermophilic fermentative organism known, Pyrococcus furiosus (Pfu) , which grows optimally at 100°C, to produce several key industrial chemicals. This work leveraged recent breakthrough advances in the development of molecular genetic tools for these organisms, complemented by a deep understanding of its metabolism and physiology gained over the past decade of study in the PIs’ laboratories. We applied the latest metabolic reconstruction and modeling approaches to optimize biomass to product conversion. Bio-processing above 70°C can have important advantages over near-ambient operations. Highly genetically-modified microorganisms usually have a fitness disadvantage and can be easily overtaken in culture when contaminating microbes are present. The high growth temperature of extreme thermophiles precludes growth or survival of virtually any contaminating organism or phage. This reduces operating costs associated with reactor sterilization and maintaining a sterile facility. In addition, at industrial scales, heat production from microbial metabolic activity vastly outweighs heat loss through bioreactor walls such that cooling is required. Extreme thermophiles have the advantage that non-refrigerated cooling water can be used if needed, and heating requirements can be met with low-grade steam typically in excess capacity on plant sites. We assembled a highly interdisciplinary team that brought together all of the expertise for the project to have successful outcomes. This project also built upon and utilized extensive information already available in the PIs’ labs for both Cbes and Pfu to develop models that provide a comprehensive description of these organisms’ physiology and metabolism that were utilized to inform metabolic engineering strategies. The models were validated with experimental data and the results demonstrated that unpretreated lignocellulose has the potential to be converted into value-added industrial chemicals at high loading at bioreactor scale. The data generated from this research were published in twenty-one peer-reviewed papers in international journals with online access.

60 APPLIED LIFE SCIENCES↗

A stochastic biomass blending problem in decentralized supply chains

Blending biomass materials of different physical or chemical properties provides an opportunity to adjust the quality of the feedstock to meet the specifications of the conversion platform. We propose a model which identifies the right mix of biomass to optimize the performance of the thermochemical conversion process at the mini-mum cost. This is a chance-constraint programming (CCP) model which takes into account the stochastic nature of biomass quality. The proposed CCP model ensures that process requirements, which are impacted by physical and chemical properties of biomass, are met most of the time. We consider two problem settings, a centralized and a decentralized supply chain. We propose a mixed-integer linear program to model the blending problem in the centralized setting and a bilevel program to model the blending problem in the decentralized setting. We use the sample average approximation method to approximate the chance constraints, and propose solution algorithms to solve this approximation. We develop a case study for South Carolina using data provided by the Billion Ton Study. Based on our results, the blends identified consist mainly of pine and softwood residues. The blends identified and the suppliers selected by both models are different. The cost of the centralized supply chain is 2%–6% lower. The implications of these results are twofold. First, these results could lead to improved collaborations in the supply chain. Second, these results provide an estimate of the approximation error from assuming centralized decision making in the supply chain.

09 BIOMASS FUELS↗

Scalable and automated CRISPR-based strain engineering using droplet microfluidics

Abstract We present a droplet-based microfluidic system that enables CRISPR-based gene editing and high-throughput screening on a chip. The microfluidic device contains a 10 × 10 element array, and each element contains sets of electrodes for two electric field-actuated operations: electrowetting for merging droplets to mix reagents and electroporation for transformation. This device can perform up to 100 genetic modification reactions in parallel, providing a scalable platform for generating the large number of engineered strains required for the combinatorial optimization of genetic pathways and predictable bioengineering. We demonstrate the system’s capabilities through the CRISPR-based engineering of two test cases: (1) disruption of the function of the enzyme galactokinase ( galK ) in E. coli and (2) targeted engineering of the glutamine synthetase gene ( glnA ) and the blue-pigment synthetase gene ( bpsA ) to improve indigoidine production in E. coli .

42 ENGINEERING↗

Template-independent enzymatic synthesis of RNA oligonucleotides

Abstract RNA oligonucleotides have emerged as a powerful therapeutic modality to treat disease, yet current manufacturing methods may not be able to deliver on anticipated future demand. Here, we report the development and optimization of an aqueous-based, template-independent enzymatic RNA oligonucleotide synthesis platform as an alternative to traditional chemical methods. The enzymatic synthesis of RNA oligonucleotides is made possible by controlled incorporation of reversible terminator nucleotides with a common 3′-O-allyl ether blocking group using new CID1 poly(U) polymerase mutant variants. We achieved an average coupling efficiency of 95% and demonstrated ten full cycles of liquid phase synthesis to produce natural and therapeutically relevant modified sequences. We then qualitatively assessed the platform on a solid phase, performing enzymatic synthesis of severalN + 5 oligonucleotides on a controlled-pore glass support. Adoption of an aqueous-based process will offer key advantages including the reduction of solvent use and sustainable therapeutic oligonucleotide manufacturing.

Biotechnology & Applied Microbiology↗

Benchmarking second and third-generation sequencing platforms for microbial metagenomics

Shotgun metagenomic sequencing is a common approach for studying the taxonomic diversity and metabolic potential of complex microbial communities. Current methods primarily use second generation short read sequencing, yet advances in third generation long read technologies provide opportunities to overcome some of the limitations of short read sequencing. Here, we compared seven platforms, encompassing second generation sequencers (Illumina HiSeq 300, MGI DNBSEQ-G400 and DNBSEQ-T7, ThermoFisher Ion GeneStudio S5 and Ion Proton P1) and third generation sequencers (Oxford Nanopore Technologies MinION R9 and Pacific Biosciences Sequel II). We constructed three uneven synthetic microbial communities composed of up to 87 genomic microbial strains DNAs per mock, spanning 29 bacterial and archaeal phyla, and representing the most complex and diverse synthetic communities used for sequencing technology comparisons. Our results demonstrate that third generation sequencing have advantages over second generation platforms in analyzing complex microbial communities, but require careful sequencing library preparation for optimal quantitative metagenomic analysis. Our sequencing data also provides a valuable resource for testing and benchmarking bioinformatics software for metagenomics.

59 BASIC BIOLOGICAL SCIENCES↗