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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 109 records · Page 6

Global Exploration Roadmap Derived Concept for Human Exploration of the Moon

Taking advantage of the development of Mars-forward assets in cislunar space, a human lunar surface concept is proposed to maximize value for both lunar exploration and future deep space missions. The human lunar surface missions will be designed to build upon the cislunar activities that precede them, providing experience in planetary surface operations that cannot be obtained in cislunar space. To enable a five-mission limited campaign to the surface of the Moon, two new elements are required: a human lunar lander and a mobile surface habitat. The human lunar lander will have been developed throughout the cislunar phase from a subscale demonstrator and will consist of a descent module alongside a reusable ascent module. The reusable ascent module will be used for all five human lunar surface missions. Surface habitation, in the form of two small pressurized rovers, will enable 4 crew to spend up to 42 days on the lunar surface.

Whitley, Ryan

POST Explorer: A Design Space Exploration Tool for POST2

Recent improvements for the Program to Optimize Simulated Trajectories II (POST2) have included the development of an application programming interface (API). This API allows POST2 simulation inputs to be directly manipulated from other applications (such as MATLAB or Python), and the outputs from POST2 are streamed directly to the external application that enables visualization, data manipulation, etc. Through this framework, a new tool called POST Explorer is being developed that provides a user the capability to modify the simulation inputs and interrogate the outputs within the same application, with raw data inspection and visualization embedded. This tool can be leveraged for multiple types of analyses, such as parametric sweeps and sensitivity studies, and will be available with a future release of the POST2 software.

Robert Anthony Williams

POST Explorer: A Design Space Exploration Tool for POST2

Recent improvements for the Program to Optimize Simulated Trajectories II (POST2) have included the development of an application programming interface (API). This API allows POST2 simulation inputs to be directly manipulated from other applications (such as MATLAB or Python), and the outputs from POST2 are streamed directly to the external application that enables visualization, data manipulation, etc. Through this framework, a new tool called POST Explorer is being developed that provides a user the capability to modify the simulation inputs and interrogate the outputs within the same application, with raw data inspection and visualization embedded. This tool can be leveraged for multiple types of analyses, such as parametric sweeps and sensitivity studies, and will be available with a future release of the POST2 software.

Anthony Williams

Leveraging Triphenylphosphine-Containing Polymers to Explore Design Principles for Protein-Mimetic Catalysts

Complex interactions between noncoordinating residues are significant yet commonly overlooked components of macromolecular catalyst function. While these interactions have been demonstrated to impact binding affinities and catalytic rates in metalloenzymes, the roles of similar structural elements in synthetic polymeric catalysts remain underexplored. Using a model Suzuki–Miyuara cross-coupling reaction, we performed a series of systematic studies to probe the interconnected effects of metal–ligand cross-links, electrostatic interactions, and local rigidity in polymer catalysts. To achieve this, a novel bifunctional triphenylphosphine acrylamide (BisTPPAm) monomer was synthesized and evaluated alongside an analogous monofunctional triphenylphosphine acrylamide (TPPAm). In model copolymer catalysts, increased initial reaction rates were observed for copolymers untethered by Pd complexation (BisTPPAm-containing) compared to Pd-cross-linked catalysts (TPPAm-containing). Further, incorporating local rigidity through secondary structure-like and electrostatic interactions revealed nonmonotonic relationships between composition and the reaction rate, demonstrating the potential for tunable behavior through secondary-sphere interactions. Lastly, through rigorous cheminformatics featurization strategies and statistical modeling, we quantitated relationships between chemical descriptors of the substrate and reaction conditions on catalytic performance. Collectively, these results provide insights into relationships among the composition, structure, and function of protein-mimetic catalytic copolymers.

Catalysts

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.

Community detection, graph algorithms

2024 Stor4Build Annual Meeting: Exploring Challenges and Opportunities in Thermal Energy Storage for Buildings

In late August 2024, Stor4Build brought nearly 80 stakeholders from the thermal energy storage industry to Oak Ridge National Laboratory (ORNL), including researchers, startups, electric utilities, nonprofits, implementers, state energy efficiency offices, and original equipment manufacturers. During the two-day Stor4Build Annual Meeting, participants engaged in vital discussions about the current challenges and opportunities for scaling thermal energy storage solutions in buildings. The event featured panel discussions led by leading technology experts and industry practitioners, as well as updates on Stor4Build–funded projects from national laboratories, highlighting advancements in the thermal energy storage field crucial to achieving the consortium’s mission.

25 ENERGY STORAGE