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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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Crowders Perturb the Entropy of RNA Energy Landscapes to Favor Folding
Abstract not provided
Effects of copper occupancy on the conformational landscape of peptidylglycine α-hydroxylating monooxygenase
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Free energy landscape and localization of nanoparticles at block copolymer model defects
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Energy landscape of the charge transfer reaction at the complex Li/SEI/electrolyte interface
The charge transfer reaction is the fundamental reaction for rechargeable batteries.
Relaxion: A landscape without anthropics
The relaxion mechanism provides a potentially elegant solution to the hierarchy problem without resorting to anthropic or other fine-tuning arguments. This mechanism introduces an axion-like field, dubbed the relaxion, whose expectation value determines the electroweak hierarchy as well as the QCD strong C P -violating θ ¯ parameter. During an inflationary period, the Higgs mass squared is selected to be negative and hierarchically small in a theory which is consistent with ’t Hooft’s technical naturalness criteria. However, in the original model proposed by Graham, Kaplan, and Rajendran, the relaxion does not solve the strong C P problem, and in fact contributes to it, as the coupling of the relaxion to the Higgs field and the introduction of a linear potential for the relaxion produces large strong C P violation. Herein we resolve this tension by considering inflation with a Hubble scale which is above the QCD scale but below the weak scale, and estimating the Hubble temperature dependence of the axion mass. The relaxion potential is thus very different during inflation than it is today. We find that provided the inflationary Hubble scale is between the weak scale and about 3 GeV, the relaxion resolves the hierarchy, strong C P , and dark matter problems in a way that is technically natural.
A conformational landscape for alginate secretion across the outer membrane of Pseudomonas aeruginosa
Abstract not provided
Exploring the Landscape of Distributed Graph Clustering on Leadership Supercomputers
The rapid growth of large-scale datasets in fields like biology and social networks has driven the need for advanced graph analytics techniques. Community detection, a fundamental task in graph analytics, identifies closely connected groups of nodes within a network, providing valuable insights across various disciplines. This study focuses on two classic community detection methods, the Louvain algorithm and Markov Clustering (MCL), and evaluates the performance of two prominent distributed community detection algorithms: HiPDPL-GPU, our prior implementation, and HipMCL. We conduct experiments on GPU-accelerated heterogeneous HPC systems, Summit and Frontier, to assess their performance under varying conditions. Our objective is to identify the strengths and weaknesses of these algorithms in terms of scalability, and quality of solutions. We evaluate these algorithms on a diverse set of 70+ networks spanning 13 domains, with sizes ranging up to 4.2 billion edges. Our results demonstrate that HiPDPL-GPU consistently outperforms HipMCL, especially for large-scale networks. HiPDPL-GPU achieves significantly faster runtimes (47x to 1439x), higher modularity scores, and improved scalability. These findings highlight HiPDPL-GPU as a promising solution for efficient and effective large-scale graph analytics in diverse application domains, and provide insights into the feasibility of using MCL-based approaches for certain application domains.
Engineered pinning landscapes for enhanced 2G coil wire
We demonstrate a twofold increase in the in-field critical current of AMSC's standard 2G coil wire by irradiation with 18-MeV Au ions. The optimum pinning enhancement is achieved with a dose of 6 × 10 11 Au ions/cm 2 . Although the 77 K, self-field critical current is reduced by about 35%, the in-field critical current (H//c) shows a significant enhancement between 4 and 50 K in fields > 1 T. The process was used for the roll-to-roll irradiation of AMSC's standard 46-mm-wide production coated conductor strips, which were further processed into standard copper laminated coil wire. The long-length wires show the same enhancement as attained with short static irradiated samples. The roll-to-roll irradiation process can be incorporated in the standard 2G wire manufacturing, with no modifications to the current process. In conclusion, the enhanced performance of the wire will benefit rotating machine and magnet applications.
The promising role of proteomes and metabolomes in defining the single-cell landscapes of plants
The plant community has a strong track-record of RNA sequencing technology deployment, which combined with the recent advent of spatial platforms (e.g., 10x genomics), has resulted in an explosion of outstanding single cell and nuclei datasets that can be put in an in situ context within tissues (e.g., a cell atlas)1. In the genomics era, application of proteomics technologies in the plant sciences has always trailed behind that of RNA sequencing technologies, largely due to accessibility, ease-of-use and access to expertise along with depth of analysis benefits. On the other hand, the use of early analytical tools for characterizing small molecules (metabolites) from plant systems predates nucleic acid sequencing and proteomics analysis2, as the search for plant-based natural products has played a significant role in improving human health throughout history. However, the employment of proteomics and metabolomics assays for characterizing plant cell processes now remains significantly behind transcriptional approaches, even though both provide a direct functional readout of cell states and phenotypes.
Multiplexed gene synthesis in emulsions for exploring protein functional landscapes
Not provided.
Clear Sky Tampa Bay: Tampa Bay Regional Policy Landscape Analysis (Florida Energy Resilience Policy Landscape) [Slides]
This deck focuses on policies and programs that may enable, constrain, or inform the deployment of solar and storage for resilience in the Tampa Bay Region. This deck also reviews planning approaches within the Tampa Bay Region to ensure that resources developed under the Clear Sky Tampa Bay project are consistent with established practice and relevant to regional practitioners.
Mapping the conformational landscape of a dynamic enzyme by multitemperature and XFEL crystallography
Determining the interconverting conformations of dynamic proteins in atomic detail is a major challenge for structural biology. Conformational heterogeneity in the active site of the dynamic enzyme cyclophilin A (CypA) has been previously linked to its catalytic function, but the extent to which the different conformations of these residues are correlated is unclear. Here we compare the conformational ensembles of CypA by multitemperature synchrotron crystallography and fixed-target X-ray free-electron laser (XFEL) crystallography. The diffraction-before-destruction nature of XFEL experiments provides a radiation-damage-free view of the functionally important alternative conformations of CypA, confirming earlier synchrotron-based results. We monitored the temperature dependences of these alternative conformations with eight synchrotron datasets spanning 100-310 K. Multiconformer models show that many alternative conformations in CypA are populated only at 240 K and above, yet others remain populated or become populated at 180 K and below. These results point to a complex evolution of conformational heterogeneity between 180-–240 K that involves both thermal deactivation and solvent-driven arrest of protein motions in the crystal. The lack of a single shared conformational response to temperature within the dynamic active-site network provides evidence for a conformation shuffling model, in which exchange between rotamer states of a large aromatic ring in the middle of the network shifts the conformational ensemble for the other residues in the network. Together, our multitemperature analyses and XFEL data motivate a new generation of temperature- and time-resolved experiments to structurally characterize the dynamic underpinnings of protein function.