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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 73 records · Page 4

Fast Linearized Coronagraph Optimizer (FALCO) I: A Software Toolbox for Rapid Coronagraphic Design and Wavefront Correction

The Fast Linearized Coronagraph Optimizer (FALCO) is an open-source toolbox of routines for coronagraphic focal plane wavefront correction. The goal of FALCO is to provide a free, modular framework for the simulation or testbed operation of several common types of coronagraphs. FALCO includes routines for pair-wise probing estimation of the complex electric field and Electric Field Conjugation (EFC) control, and we ask the community to contribute other wavefront correction algorithms. FALCO utilizes and builds upon PROPER, an established optical propagation library. The key innovation in FALCO is the rapid computation of the linearized response matrix for each deformable mirror (DM), which facilitates re-linearization after each control step for faster DM-integrated coronagraph design and wavefront correction experiments. FALCO is freely available as source code in MATLAB at github.com/ajeldorado/falco-matlab and will be available later this year in Python 3 at github.com/ajeldorado/falco-python.

Shaklan, Stuart B.↗

Risk Model for EM Decision Support Toolsets

The Government Office of Accountability (GAO) has published several reports identifying the need for the Department of Energy (DOE) Office of Environmental Management (EM) to address mounting costs for DoE's cleanup program. DOEEM could greatly benefit from independent decision tool-sets/models that would allow them to evaluate options and inform business decision at the enterprise level considering site-specific life cycle costs and system plans. Program goals: Develop a tool-set that enables EM to independently evaluate alternatives, assess outcomes from different contracting strategies, and inform critical decisions for the enterprise. Project goals: Adaption of a Risk Model for integration with complimentary tool-sets for project level decision making. Operational Events: Discrete event model that evaluates operational variables (e.g. capacity, throughput, maintenance constraints) and identify bottlenecks. Identifying and Bounding Project Risk: Identify risks that impact confidence in meeting goals (e.g. production). Life cycle Cost: Evaluate impacts of staffing levels, inventory, and capital investments on life cycle costs. Methods and approach: Monte Carlo Analysis is being executed to generate results: Input derives from Risk Register Data; Tied to Projected and Target Schedules; Incorporates float duration within the model. Assumes associated risk mitigation actions being completed within a timeline of five fiscal years. Metrics include: Confidence in Meeting Production Goal; Confidence in Safety Standards; Confidence in Continuous Operation; Other Metrics can be added as appropriate regarding specific site needs. The adapted risk model can be used as a stand alone decision tool or can be integrated complementary tool-sets (i.e. process and cost models) for project-specific decisions. These support tool-sets can then be integrated with others for site- and complex- level evaluations. Future work includes designing an adaptable and modular framework that would allow integration of multiple tool-sets for holistic and/or targeted evaluation of alternative strategies for decision making that could lead to risk and cost reduction across the enterprise.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

A Modular Accelerator Robotics Framework for AD Robotics

Accelerator tunnels, such as the ones at Fermilab, remain highly radioactive after beam shutoff due to induced radiation from the beam. This residual radiation creates a hazardous environment for manual inspection and repair of beamline components. To minimize worker radiation dose and reduce beam downtime, the AD Robotics Initiative previously built a fleet of low-cost custom mobile robots. However, the custom Python sockets server-client architecture lacked standardization, causing development delays and complicating the integration of new sensors and actuators. Here, we developed a modular system using ROS2 and Docker to standardize the teleoperation and control interfaces. This system was validated by implementing a teleoperation controller with real-time, low-latency, and high-definition video feedback. The aim of this framework is for a new feature or even a robot to be integrated into the system simply by documenting the hardware configuration. Current integration of LiDAR, Odometry, and Depth Cameras provides the foundation for Simultaneous Localization and Mapping (SLAM) tasks. Finally, future work involves integration into the accelerator control system and the attachment of a 6 degree-of-freedom robotic arm for telemanipulation.

Rayyan Khan, M. [Fermilab; Rensselaer Poly.; Unlis↗

Modular Accelerator Robotics Framework Implementation For Accelerator Inspection

Accelerator tunnels, such as the ones at Fermilab, remain highly radioactive after beam shutoff due to induced radiation from the beam. This residual radiation creates a hazardous environment for manual inspection and repair of beamline components. To minimize worker radiation dose and reduce beam downtime, the AD Robotics Initiative previously built a fleet of low-cost custom mobile robots. However, the custom Python sockets server-client architecture lacked standardization, causing development delays and complicating the integration of new sensors and actuators. Here, we developed a modular system using ROS2 and Docker to standardize the teleoperation and control interfaces. This system was validated by implementing a teleoperation controller with real-time, low-latency, and high-definition video feedback. The aim of this framework is for a new feature or even a robot to be integrated into the system simply by documenting the hardware configuration. Current integration of LiDAR, Odometry, and Depth Cameras provides the foundation for Simultaneous Localization and Mapping (SLAM) tasks. Finally, future work involves integration into the accelerator control system and the attachment of a 6 degree-of-freedom robotic arm for telemanipulation.

Rayyan Khana, M. [Unlisted, US, IL] (ORCID:0009000↗

Framework Polymorphism and Modular Crystal Structures of Uranyl Vanadates of Divalent Cations: Synthesis and Characterization of M (UO 2 )(V 2 O 7 ) ( M = Ca, Sr) and Sr 3 (UO 2 )(V 2 O 7 ) 2

In this work, Uranyl vanadate compounds with divalent cations, M (UO 2 )(V 2 O 7 ) ( M = Ca, Sr) and Sr 3 (UO 2 )(V 2 O 7 ) 2 , were synthesized by flux crystal growth, and their crystal structures were solved using single-crystal X-ray diffraction data. Ca(UO 2 )V 2 O 7 and Sr(UO 2 )V 2 O 7 were synthesized from reactants with molar ratios M:U:V of 1:1:2 and identical heating conditions, and increasing the M:U:V ratio to 3:1:4 resulted in Sr 3 (UO 2 )(V 2 O 7 ) 2 . Crystallographic data for M(UO2)V2O7 compounds are: a = 7.1774(18) Å, b = 6.7753(17) Å, c = 8.308(2) Å; V = 404.01(18) Å 3 ; space group Pmn2 1 , Z = 2 for Ca; a = 13.4816(11) Å, b = 7.3218(6) Å, c = 8.4886(7) Å; V = 837.91(12) Å3; space group Pnma , Z = 4 for Sr. Compound Sr 3 (UO 2 )(V 2 O 7 ) 2 has a = 6.891(3) Å, b = 7.171(3) Å, c = 14.696(6) Å, α = 85.201(4)°, β = 78.003(4)°, γ = 89.188(4)°; V = 707.9(5) Å 3 ; space group P1, Z = 2. The framework structure of Sr(UO 2 )(V 2 O 7 ) is related to that of Pb(UO 2 )(V 2 O 7 ) reported previously, while that of Ca(UO 2 )(V 2 O 7 ) has a different topology. The topological polymorphism of the [(UO 2 )(V 2 O 7 )]-type framework may be due to the differing ionic radii of the guest M 2+ cations. Compound Sr 3 (UO 2 )(V 2 O 7 ) 2 has a modular structure based on two different types of electroneutral layers: [Sr(UO 2 )(V 2 O 7 )] and [Sr 2 (V 2 O 7 )]. This report calculated Structural complexities, and Raman spectra were collected and their peaks were assigned.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Simultaneous Control of Pore‐Space Partition and Charge Distribution in Multi‐Modular Metal–Organic Frameworks

Abstract We report here a strategy for making anionic pacs type porous materials by combining pore space partition with charge reallocation. The method uses the first negatively charged pore partition ligand (2,5,8‐tri‐(4‐pyridyl)‐1,3,4,6,7,9‐hexaazaphenalene, H‐tph) that simultaneously enables pore partition and charge reallocation. Over two dozen anionic pacs materials have been made to demonstrate their excellent chemical stability and a high degree of tunability. Notably, Ni 3 ‐bdt‐tph (bdt=1,4‐benzeneditetrazolate) exhibits month‐long water stability, while CoV‐bdt‐tph sets a new benchmark for C 2 H 2 storage capacity under ambient conditions for ionic MOFs. In addition to tunable in‐framework modules, we show feasibility to tune the type and concentration of extra‐framework counter cations and their influence on both stability and capability to separate industrial C 3 H 8 /C 3 H 6 and C 6 H 6 /C 6 H 12 mixtures.

Hong, Anh N.↗

Simultaneous Control of Pore-Space Partition and Charge Distribution in Multi-Modular Metal–Organic Frameworks

Here we report here a strategy for making anionic pacs type porous materials by combining pore space partition with charge reallocation. The method uses the first negatively charged pore partition ligand (2,5,8-tri-(4-pyridyl)-1,3,4,6,7,9-hexaazaphenalene, H-tph) that simultaneously enables pore partition and charge reallocation. Over two dozen anionic pacs materials have been made to demonstrate their excellent chemical stability and a high degree of tunability. Notably, Ni 3 -bdt-tph (bdt=1,4-benzeneditetrazolate) exhibits month-long water stability, while CoV-bdt-tph sets a new benchmark for C 2 H 2 storage capacity under ambient conditions for ionic MOFs. In addition to tunable in-framework modules, we show feasibility to tune the type and concentration of extra-framework counter cations and their influence on both stability and capability to separate industrial C 3 H 8 /C 3 H 6 and C 6 H 6 /C 6 H 12 mixtures.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

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↗

Modular Spectral Inference Framework Applied to Young Stars and Brown Dwarfs

In practice, synthetic spectral models are imperfect, causing inaccurate estimates of stellar parameters. Using forward modeling and statistical inference, we derive accurate stellar parameters for a given observed spectrum by emulating a grid of precomputed spectra to track uncertainties. Spectral inference as applied to brown dwarfs re: Synthetic spectral models (Marley et al 1996 and 2014) via the newest grid spans a massive multi-dimensional grid applied to IGRINS spectra, improving atmospheric models for JWST. When applied to young stars(10Myr) with large starpots, they can be measured spectroscopically, especially in the near-IR with IGRINS.

Modular Autonomous Systems Technology Framework: A Distributed Solution for System Monitoring and Control

The Modular Autonomous Systems Technology (MAST) framework is a tool for building distributed, hierarchical autonomous systems. Originally intended for the autonomous monitoring and control of spacecraft, this framework concept provides support for variable autonomy, assume-guarantee contracts, and efficient communication between subsystems and a centralized systems manager. MAST was developed at NASA's Johnson Space Center (JSC) and has been applied to an integrated spacecraft example scenario.

Badger, Julia M.↗

An Integrated Snow Radiance and Snow Physics Modeling Framework for Cold Land Surface Modeling

Recent developments in forward radiative transfer modeling and physical land surface modeling are converging to allow the assembly of an integrated snow/cold lands modeling framework for land surface modeling and data assimilation applications. The key elements of this framework include: a forward radiative transfer model (FRTM) for snow, a snowpack physical model, a land surface water/energy cycle model, and a data assimilation scheme. Together these form a flexible framework for self-consistent remote sensing and water/energy cycle studies. In this paper we will describe the elements and the integration plan. Each element of this framework is modular so the choice of element can be tailored to match the emphasis of a particular study. For example, within our framework, four choices of a FRTM are available to simulate the brightness temperature of snow: Two models are available to model the physical evolution of the snowpack and underlying soil, and two models are available to handle the water/energy balance at the land surface. Since the framework is modular, other models-physical or statistical--can be accommodated, too. All modules will operate within the framework of the Land Information System (LIS), a land surface modeling framework with data assimilation capabilities running on a parallel-node computing cluster at the NASA Goddard Space Flight Center. The advantages of such an integrated modular framework built on the LIS will be described through examples-e.g., studies to analyze snow field experiment observations, and simulations of future satellite missions for snow and cold land processes.

Kim, Edward J.↗

A Modular and Transferable Reinforcement Learning Framework for the Fleet Rebalancing Problem

Mobility on demand (MoD) systems show great promise in realizing flexible and efficient urban transportation. However, significant technical challenges arise from operational decision making associated with MoD vehicle dispatch and fleet rebalancing. For this reason, operators tend to employ simplified algorithms that have been demonstrated to work well in a particular setting. To help bridge the gap between novel and existing methods, we propose a modular framework for fleet rebalancing based on model-free reinforcement learning (RL) that can leverage an existing dispatch method to minimize system cost. In particular, by treating dispatch as part of the environment dynamics, a centralized agent can learn to intermittently direct the dispatcher to reposition free vehicles and mitigate against fleet imbalance. We formulate RL state and action spaces as distributions over a grid partitioning of the operating area, making the framework scalable and avoiding the complexities associated with multiagent RL. Numerical experiments, using real-world trip and network data, demonstrate that RL reduces waiting time by 28% to 38% for the same-day evaluation, 17% to 44% for cross-day evaluation, and 22% to 25% for cross-season evaluation compared with no rebalancing scenarios. This approach has several distinct advantages over baseline methods including: improved system cost; high degree of adaptability to the selected dispatch method; and the ability to perform scale-invariant transfer learning between problem instances with similar vehicle and request distributions.

33 ADVANCED PROPULSION SYSTEMS↗

Calibration and Validation of a Mechanistic COVID-19 Model for Translational Quantitative Systems Pharmacology – A Proof-of-Concept Model Development for Remdesivir

With the ongoing global pandemic of coronavirus disease 2019 (COVID-19), there is an urgent need to accelerate the traditional drug development process. Many studies identified potential COVID-19 therapies based on promising nonclinical data. However, the poor translatability from nonclinical to clinical settings has led to failures of many of these drug candidates in the clinical phase. In this study, we propose a mechanism-based, quantitative framework to translate nonclinical findings to clinical outcome. Adopting a modularized approach, this framework includes an in silico disease model for COVID-19 (virus infection and human immune responses) and a pharmacological component for COVID-19 therapies. Here, the disease model was able to reproduce important longitudinal clinical data for patients with mild and severe COVID-19, including viral titer, key immunological cytokines, antibody responses, and time courses of lymphopenia. Using remdesivir as a proof-of-concept example of model development for the pharmacological component, we developed a pharmacological model that describes the conversion of intravenously administered remdesivir as a prodrug to its active metabolite nucleoside triphosphate through intracellular metabolism and connected it to the COVID-19 disease model. After being calibrated with the placebo arm data, our model was independently and quantitatively able to predict the primary endpoint (time to recovery) of the remdesivir clinical study, Adaptive Covid-19 Clinical Trial (ACTT). Our work demonstrates the possibility of quantitatively predicting clinical outcome based on nonclinical data and mechanistic understanding of the disease and provides a modularized framework to aid in candidate drug selection and clinical trial design for COVID-19 therapeutics.

60 APPLIED LIFE SCIENCES↗

IDAES-PSE 2.5.0 Release

The Institute for the Design of Advanced Energy Systems (IDAES) Integrated Platform is a versatile computational environment offering extensive process systems engineering (PSE) capabilities for optimizing the design and operation of complex, interacting technologies and systems. IDAES enables users to efficiently search vast, complex design spaces to discover the lowest cost, most environmentally sustainable solutions while supporting the full process modeling lifecycle, from conceptual design to dynamic optimization and control. The extensible, open platform empowers users to create models of novel processes and rapidly develop custom analyses, workflows, and end-user applications. IDAES-PSE 2.5.0 Release Highlights Upcoming Changes IDAES will be switching to the new Pyomo solver interface in the next release. Whilst this will hopefully be a smooth transition for most users, there are a few important changes to be aware of. The new solver interface uses a different version of the IPOPT writer (“ipopt_v2”) and thus any custom configuration options you might have set for IPOPT will not carry over and will need to be reset. By default, the new Pyomo linear presolver will be activated with ipopt_v2. Whilst are working to identify any bugs in the presolver, it is possible that some edge cases will remain. IDAES will begin deploying a new set of scaling tools and APIs over the next few releases that make use of the new solver writers. The old scaling tools and APIs will remain for backward compatibility but will begin to be deprecated. New Models, Tools and Features New diagnostics check for near-parallel variables and constraints. New diagnostics tools for identifying causes of infeasibility in models. New example for creating a custom model of a liquid-liquid extractor unit operation. Bug Fixes Fixed bug in Gibbs reactor that caused it to appear to have additional spurious degrees of freedom. Fixed bug in the Modular Property Framework that would cause errors when trying to use phase-based material balances with phase equilibria. Fixed bug in Modular Properties Framework that caused errors when initializing models with non-vapor-liquid phase equilibria. Testing and Robustness Deployed the IDAES Diagnostics Toolbox to confirm that there are no structural or numerical issues in the core model libraries. Additional robustness tests for core model, and some associated improvements in the converge tester class. Fixed a number of issues that were causing unexpected warnings to be emitted during testing. Deprecations and Removals Removed examples for RIPE tool which has not been supported for a number of releases.

AS↗