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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 829 records · Page 46
All sourcesNASA NTRSDOE OSTI
DOE OSTI2022

Engineering a universal and efficient platform for terpenoid synthesis in yeast

Engineering microbes for the production of valuable natural products is often hindered by the regulation of native competing metabolic networks in host. This is particularly evident in the case of terpenoid synthesis in yeast, where the canonical terpenoid precursors are tightly coupled to the biosynthesis of sterols essential for yeast viability. One way to circumvent this limitation is by engineering product pathways less connected to the host native metabolism. Here, we introduce a two-step isopentenol utilization pathway (IUP) in Saccharomyces cerevisiae to augment the native mevalonate pathway by providing a shortcut to the synthesis of the common terpenoid precursors, isopentenyl diphosphate (IPP) and dimethylallyl diphosphate (DMAPP). As such, the IUP was capable of elevating the IPP/DMAPP pool by 147-fold compared with the native pathway. We further demonstrate that cofeeding isoprenol and prenol enhances geranyl diphosphate (GPP) content for monoterpene biosynthesis. More importantly, we established a synthetic three-step route for efficient synthesis of di-and tetraterpene precursor geranylgeranyl diphosphate (GGPP), circumventing the competition with farnesyl diphosphate (FPP) for sterol biosynthesis and elevating the GGPP level by 374-fold. We combine these IUP-supported precursor-forming platforms with downstream terpene synthases to harness their potential and improve the production of industrially relevant terpenoids by several fold. In conclusion, our exploration provides a universal and effective platform for supporting terpenoid synthesis in yeast.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2018

CyDER – an FMI-based co-simulation platform for distributed energy resources

The increased integration of distributed energy resources (DERs) is bringing a number of challenges to the power grid. These include reverse power flows in distribution systems and potentially transmission systems and grid stability. So far, specialized tools have been developed to capture some of the impact of DERs at the distribution level. However, distribution system operators lack visibility into the overall system conditions. Furthermore, the impact of increasing DERs is not limited to the distribution level but also influences the transmission grid. To support the planning and operation of the grid, we developed a co-simulation platform called CyDER (A Cyber Physical Co-simulation Platform for Distributed Energy Resources in Smart Grids) that integrates various domain-specific simulation tools. CyDER is based on the functional mock-up interface standard. This paper gives an overview of CyDER and demonstrates its use based on two applications.

24 POWER TRANSMISSION AND DISTRIBUTION↗
DOE OSTI2024

Open-source simulation platform for air source heat pump integrated with thermal energy storage

Here, this article introduces a modular simulation platform for assessing thermal energy storage (TES) integrated with air source heat pumps (ASHP). The Python platform is an open-source library that includes classes for modeling air-air and air-water heat pumps, TES devices, and the heating load of residential buildings. To validate the ASHP model, the study utilized experimental data obtained from a commercial heat pump evaluated at the National Renewable Energy Laboratory (NREL). The results indicate a mean deviation of 0.7% for COP across the operating range, with a maximum relative deviation of 12.6%. In terms of system heating capacity, the model had an average deviation of 4.3% compared to experimental results, with a maximum deviation of 8.2%. Three classes were implemented for modeling distinct types of TES devices: a generic TES based on energy balances, a sensible isothermal water tank, and a stratified water tank. Details of the mathematical models are provided, along with their respective strengths and limitations. An example is provided showcasing the integration of a residential 10 kWh thermal storage unit with an ASHP operating in Denver, CO. The comparison of two different discharge criteria for the TES unit highlights the importance of control strategies in the system performance.

25 ENERGY STORAGE↗
DOE OSTI2026

The inertial confinement fusion experimental platform and diagnostics for studies of nuclear reactions relevant to nuclear astrophysics

High energy density plasmas generated in laser-driven inertial confinement fusion implosions provide unparalleled laboratory conditions for studying stellar-relevant nuclear reactions: plasma environment; hot and dense; uniquely high achievable neutron flux. These experiments have the potential to address long-standing questions about plasma effects on nuclear reactions hitherto experimentally inaccessible, including nuclear rates with thermally distributed reactants, plasma screening, and reactions involving nuclei in excited states. The National Ignition Facility (NIF) and OMEGA lasers are two primary facilities for executing experiments of this type. Existing and future nuclear diagnostics, along with supporting diagnostics to characterize the platform, enable exploitation of these plasmas for such nuclear astrophysics-relevant experiments. Here, this review describes the nuclear diagnostic capabilities currently available for these types of experiments at the NIF and OMEGA, including neutron time-of-flight spectrometers, charged-particle detectors, gamma detectors and radiochemistry diagnostics, and briefly summarizes other available diagnostic capabilities used for platform characterization. Enabling tools not yet available are also identified, including a rapid radioactive sample retrieval system, a low-energy neutron spectrometer and a high-efficiency gamma spectrometer.

National Ignition Facility↗
DOE OSTI2018

Leveraging the checkpoint-restart technique for optimizing CPU efficiency of ATLAS production applications on opportunistic platforms

Data processing applications of the ATLAS experiment, such as event simulation and reconstruction, spend considerable amount of time in the initialization phase. This phase includes loading a large number of shared libraries, reading detector geometry and condition data from external databases, building a transient representation of the detector geometry and initializing various algorithms and services. In some cases the initialization step can take as long as 10-15 minutes. Such slow initialization has a significant negative impact on overall CPU efficiency of the production job, especially when the job is executed on opportunistic, often short-lived, resources such as commercial clouds or volunteer computing. In order to improve this situation, we can take advantage of the fact that ATLAS runs large numbers of production jobs with similar configuration parameters (e.g. jobs within the same production task). This allows us to checkpoint one job at the end of its configuration step and then use the generated checkpoint image for rapid startup of thousands of production jobs. By applying this technique we can bring the initialization time of a job from tens of minutes down to just a few seconds. In addition to that we can leverage container technology for restarting checkpointed applications on the variety of computing platforms, in particular of platforms different from the one on which the checkpoint image was created. We will describe the mechanism of creating checkpoint images of Geant4 simulation jobs with AthenaMP (the multi-process version of the ATLAS data simulation, reconstruction and analysis framework Athena) and the usage of these images for running ATLAS Simulation production jobs on volunteer computing resources (ATLAS@Home) and on Supercomputers.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2024

Control Co-Design Studies for a 22 MW Semisubmersible Floating Wind Turbine Platform

We present a control co-design software framework that can be used to optimize floating wind turbines and their controllers. Because this framework has many options for design variables, constraints, and merit figures, along with modeling fidelity levels, we seek to demonstrate best practices for using the tool while designing a floating platform for the new 22 MW offshore reference wind turbine developed within the International Energy Agency Wind Technology Commercialization Programme 55 on Reference Wind Turbines and Farms. During these studies, we evaluate the use of different simulation fidelity levels, the effect of using different load cases for controller tuning, and the difference between sequential and simultaneous control co-design solutions. Based on these efforts, we suggest using an algorithm that performs an initial search of the design space before optimization. We find that solving smaller optimization problems, in a sequential manner, leads to more reliable outcomes in fewer iterations than larger, simultaneous control co-design solutions. However a simultaneous CCD solution produces a platform with a 2% lower mass than the sequential CCD outcome.

17 WIND ENERGY↗
DOE OSTI2016

Progress in the development of the MARBLE platform for studying thermonuclear burn in the presence of heterogeneous mix on OMEGA and the National Ignition Facility

Mix of ablator material into fuel of an ICF capsule adds non-burning material, diluting the fuel and reducing burn. The amount of the reduction is dependent in part on the morphology of the mix. A probability distribution function (PDF) burn model has been developed [6] that utilizes the average concentration of mixed materials as well as the variance in this quantity across cells provided by the BHR turbulent transport model [3] and its revisions [4] to describe the mix in terms of a PDF of concentrations of fuel and ablator material, and provides the burn rate in mixed material. Work is underway to develop the MARBLE ICF platform for use on the National Ignition Facility in experiments to quantify the influence of heterogeneous mix on fusion burn. This platform consists of a plastic (CH) capsule filled with a deuterated plastic foam (CD) with a density of a few tens of milligrams per cubic centimeter, with tritium gas filling the voids in the foam. This capsule will be driven using x-ray drive on NIF, and the resulting shocks will induce turbulent mix that will result in the mixing of deuterium from the foam with the tritium gas. In order to affect the morphology of the mix, engineered foams with voids of diameter up to 100 microns will be utilized. The degree of mix will be determined from the ratio of DT to DD neutron yield. As the mix increases, the yield from reactions between the deuterium of the CD foam with tritium from the gas will increase. Lastly, the ratio of DT to DD neutrons will be compared to a variation of the PDF burn model that quantifies reactions from initially separated reactants.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2016

Development of a WDM platform for charged-particle stopping experiments

A platform has been developed for generating large and relatively quiescent plasmas in the warm-dense matter (WDM) regime on the OMEGA laser facility. A cylindrical geometry is used to allow charged-particle probing along the axis. The plasma heating is radiative by L-shell emission generated on the outside of the cylinder. The cylinder drive is characterized with x-ray diagnostics. Possibilities for direct characterization of the plasma temperature are discussed. Lastly, the unimportance of electromagnetic fields around the target is demonstrated with proton radiography. We expect this platform to be used extensively in future experiments studying charged-particle stopping in this regime.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2020

*-DCC: A platform to collect, annotate, and explore a large variety of sequencing experiments

Background: Over the past few years the variety of experimental designs and protocols for sequencing experiments increased greatly. To ensure the wide usability of the produced data beyond an individual project, rich and systematic annotation of the underlying experiments is crucial. Findings: We first developed an annotation structure that captures the overall experimental design as well as the relevant details of the steps from the biological sample to the library preparation, the sequencing procedure, and the sequencing and processed files. Through various design features, such as controlled vocabularies and different field requirements, we ensured a high annotation quality, comparability, and ease of annotation. The structure can be easily adapted to a large variety of species. We then implemented the annotation strategy in a user-hosted web platform with data import, query, and export functionality. Conclusions: We present here an annotation structure and user-hosted platform for sequencing experiment data, suitable for lab-internal documentation, collaborations, and large-scale annotation efforts.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2012

The expression platform and the aptamer: cooperativity between Mg 2+ and ligand in the SAM-I riboswitch

Riboswitch operation involves the complex interplay between the aptamer domain and the expression platform. During transcription, these two domains compete against each other for shared sequence. In this study, we explore the cooperative effects of ligand binding and Magnesium interactions in the SAM-I riboswitch in the context of aptamer collapse and anti-terminator formation. Overall, our studies show the apo-aptamer acts as (i) a pre-organized aptamer competent to bind ligand and undergo structural collapse and (ii) a conformation that is more accessible to anti-terminator formation. We show that both Mg 2+ ions and SAM are required for a collapse transition to occur. We then use competition between the aptamer and expression platform for shared sequence to characterize the stability of the collapsed aptamer. We find that SAM and Mg 2+ interactions in the aptamer are highly cooperative in maintaining switch polarity (i.e. aptamer ‘off-state’ versus anti-terminator ‘onstate’). We further show that the aptamer off-state is preferentially stabilized by Mg 2+ and similar divalent ions. Furthermore, the functional switching assay was used to select for phosphorothioate interference, and identifies potential magnesium chelation sites while characterizing their coordinated role with SAM in aptamer stabilization. In addition, we find that Mg 2+ interactions with the apo-aptamer are required for the full formation of the anti-terminator structure, and that higher concentrations of Mg 2+ (>4 mM) shift the equilibrium toward the anti-terminator on-state even in the presence of SAM.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2019

A screening platform to monitor RNA processing and protein-RNA interactions in ribonuclease P uncovers a small molecule inhibitor

Ribonucleoprotein (RNP) complexes and RNA-processing enzymes are attractive targets for antibiotic development owing to their central roles in microbial physiology. For many of these complexes, comprehensive strategies to identify inhibitors are either lacking or suffer from substantial technical limitations. Here, we describe an activity-binding-structure platform for bacterial ribonuclease P (RNase P), an essential RNP ribozyme involved in 5' tRNA processing. A novel, real-time fluorescence-based assay was used to monitor RNase P activity and rapidly identify inhibitors using a mini-helix and a pre-tRNA-like bipartite substrate. Using the mini-helix substrate, we screened a library comprising 2560 compounds. Initial hits were then validated using pre-tRNA and the pre-tRNA-like substrate, which ultimately verified four compounds as inhibitors. Biolayer interferometry-based binding assays and molecular dynamics simulations were then used to characterize the interactions between each validated inhibitor and the P protein, P RNA and pre-tRNA. X-ray crystallographic studies subsequently elucidated the structure of the P protein bound to the most promising hit, purpurin, and revealed how this inhibitor adversely affects tRNA 5' leader binding. This integrated platform affords improved structure-function studies of RNA processing enzymes and facilitates the discovery of novel regulators or inhibitors.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2025

Hybrid quantum simulations with qubits and qumodes on trapped-ion platforms

We explore the feasibility of gate-based hybrid quantum computing using both discrete (qubit) and continuous (qumode) variables on trapped-ion platforms. Trapped-ion systems have demonstrated record one- and two-qubit gate fidelities and long qubit coherence times, while qumodes, which can be represented by the collective vibrational modes of the ion chain, have remained relatively unex- plored for their use in computing. Using numerical simulations, we show that high-fidelity hybrid gates and measurement operations can be achieved for existing trapped-ion quantum platforms. As an exemplary application, we consider quantum simulations of the Jaynes-Cummings-Hubbard model, which is given by a one-dimensional chain of interacting spin and boson degrees of free- dom. Using classical simulations, we study its real-time evolution and develop a suitable variational quantum algorithm for ground state preparation. Furthermore, our results motivate further studies of hybrid quantum computing in this context, which may lead to direct applications in condensed matter and fundamental particle and nuclear physics.

Lower-dimensional field theories↗
DOE OSTI2025

Chiral microwave nonreciprocity demonstrated via Rayleigh and Sezawa modes supported in an Al 0.58 ⁢Sc 0.42 ⁢N/4⁢H–Si⁢C platform

Chirality plays a crucial role in the helicity mismatch between surface acoustic waves and magnetic spin waves, leading to nonreciprocal transmission of acoustic power for coupled magnetoacoustic modes. Acoustic modes with both longitudinal and shear strain exhibit elliptical particle displacements, making them chiral, and different acoustic modes can exhibit different helicities of this elliptical particle displacement. Here, we study chiral acoustic modes with different helicities supported on the same piezoelectric platform and their interaction with magnetic spin waves. Our study demonstrates that the nonreciprocal transmission of acoustic power is driven by the helicity mismatch effect and, specifically, that the handedness of the nonreciprocity is based on whether the surface acoustic wave has retrograde (Rayleigh mode) or prograde (Sezawa mode) elliptical particle displacement with respect to the propagation direction. We found the transmission nonreciprocity to be significant, with 7.3 dB/mm for the retrograde particle displacement (Rayleigh mode at 2.358 GHz) and 3.3 dB/mm for prograde particle displacement (Sezawa mode at 3.112 GHz). Furthermore, this work highlights that piezoelectric platforms can be engineered to support acoustic modes with opposite helicities to enable frequency-selective nonreciprocal radiofrequency and microwave components, such as isolators and circulators, through coupled acoustic spin wave interactions.

42 ENGINEERING↗
DOE OSTI2020

Field-free platform for Majorana-like zero mode in superconductors with a topological surface state

Superconducting materials exhibiting topological properties are emerging as an exciting platform to realize fundamentally new excitations from topological quantum states of matter. In this letter, we explore the possibility of a field-free platform for generating Majorana zero energy excitations by depositing magnetic Fe impurities on the surface of candidate topological superconductors, LiFeAs and PbTaSe 2 . We use scanning tunneling microscopy to probe localized states induced at the Fe adatoms on the atomic scale and at sub-Kelvin temperatures. We find that each Fe adatom generates a striking zero-energy bound state inside the superconducting gap, which do not split in magnetic fields up to 8 T, underlining a nontrivial topological origin. Finally, our findings point to magnetic Fe adatoms evaporated on bulk superconductors with topological surface states for exploring Majorana zero modes and quantum information science under field-free conditions.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2025

Erbium quantum memory platform with long optical coherence via back-end-of-line deposition on foundry-fabricated photonics

Realizing scalable quantum interconnects necessitates the integration of solid-state quantum memories with foundry photonics processes. While prior photonic integration efforts have relied upon specialized, laboratory-scale fabrication techniques, this work demonstrates the monolithic integration of a quantum memory platform with low-loss foundry photonic circuits via back-end-of-line deposition. We deposited thin films of titanium dioxide (Ti⁢O 2 ) doped with erbium (Er) onto silicon nitride nanophotonic waveguides and studied Er optical coherence at subkelvin temperatures with photon echo techniques. Furthermore, we suppressed optical dephasing through ex-situ oxygen annealing and optimized measurement conditions, which yielded an optical coherence time of 64 μ⁢s (a 5-kHz homogeneous linewidth) and slow spectral diffusion of 27 kHz over 4 ms, results that are comparable to state-of-the-art Er nanophotonic devices. Combined with second-long electron spin lifetimes and demonstrated electrical control of Er emission, our findings establish Er:Ti⁢O 2 on foundry photonics as a manufacturable platform for ensemble and single-ion quantum memories.

Electro-optic effects↗
DOE OSTI2015

Structure of the SPRY domain of the human RNA helicase DDX1, a putative interaction platform within a DEAD-box protein

The structure of the SPRY domain of the human RNA helicase DDX1 was determined at 2.0 Å resolution. The SPRY domain provides a putative protein–protein interaction platform within DDX1 that differs from other SPRY domains in its structure and conserved regions. The human RNA helicase DDX1 in the DEAD-box family plays an important role in RNA processing and has been associated with HIV-1 replication and tumour progression. Whereas previously described DEAD-box proteins have a structurally conserved core, DDX1 shows a unique structural feature: a large SPRY-domain insertion in its RecA-like consensus fold. SPRY domains are known to function as protein–protein interaction platforms. Here, the crystal structure of the SPRY domain of human DDX1 (hDSPRY) is reported at 2.0 Å resolution. The structure reveals two layers of concave, antiparallel β-sheets that stack onto each other and a third β-sheet beneath the β-sandwich. A comparison with SPRY-domain structures from other eukaryotic proteins showed that the general β-sandwich fold is conserved; however, differences were detected in the loop regions, which were identified in other SPRY domains to be essential for interaction with cognate partners. In contrast, in hDSPRY these loop regions are not strictly conserved across species. Interestingly, though, a conserved patch of positive surface charge is found that may replace the connecting loops as a protein–protein interaction surface. The data presented here comprise the first structural information on DDX1 and provide insights into the unique domain architecture of this DEAD-box protein. By providing the structure of a putative interaction domain of DDX1, this work will serve as a basis for further studies of the interaction network within the hetero-oligomeric complexes of DDX1 and of its recruitment to the HIV-1 Rev protein as a viral replication factor.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2024

Autonomous Electrochemistry Platform with Real-Time Normality Testing of Voltammetry Measurements Using ML

Electrochemistry workflows utilize various instruments and computing systems to execute workflows consisting of electrocatalyst synthesis, testing and evaluation tasks. The heterogeneity of the software and hardware of these ecosystems makes it challenging to orchestrate a complete workflow from production to characterization by automating its tasks. We propose an autonomous electrochemistry computing platform for a multi-site ecosystem that provides the services for remote experiment steering, real-time measurement transfer, and AI/ML-driven analytics. We describe the integration of a mobile robot and synthesis workstation into the ecosystem by developing custom hub-networks and software modules to support remote operations over the ecosystem’s wireless and wired networks. We describe a workflow task for generating I-V voltammetry measurements using a potentiostat, and a machine learning framework to ensure their normality by detecting abnormal conditions such as disconnected electrodes. We study a number of machine learning methods for the underlying detection problem, including smooth, non-smooth, structural and statistical methods, and their fusers. We present experimental results to illustrate the effectiveness of this platform, and also validate the proposed ML method by deriving its rigorous generalization equations.

Alnajjar, Anees↗
DOE OSTI2018

Exploring the Optimal Platform Configuration for Power-Constrained HPC Workflows

In high-performance computing (HPC) workflows, data analytics is typically utilized to gain insights from scientific simulations. Approaching the era of exascale, online analysis is gaining popularity due to the savings of I/O to persistent storage. As computing capability keeps growing, power consumption is becoming critical to HPC facilities. Enforcing power limits is emerging as a practical trend for power-constrained HPC facilities. However, it remains unclear how to choose the appropriate power limits for various HPC workflows and how to distribute the power limit of a workflow between simulation and analysis. In addition, given a power limit, it is unclear what the optimal scales and power capping levels are for various workflows, especially when taking reliability into account. In order to resolve these issues in power-constrained HPC, in this paper, we propose a reliability-aware model to determine the aforementioned platform configurations for HPC workflows. We also validate our model and present model-driven studies for a wide range of real-system scenarios. Our study reveals interesting insights about how platform configuration affects the performance and energy efficiency of HPC workflows under power constraints.

Tang, Kun↗