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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 469 records · Page 26

Genome of Alaskapox Virus, A Novel Orthopoxvirus Isolated from Alaska

Since the eradication of smallpox, there have been increases in poxvirus infections and the emergence of several novel poxviruses that can infect humans and domestic animals. In 2015, a novel poxvirus was isolated from a resident of Alaska. Diagnostic testing and limited sequence analysis suggested this isolate was a member of the Orthopoxvirus (OPXV) genus but was highly diverged from currently known species, including Akhmeta virus. Here, we present the complete 210,797 bp genome sequence of the Alaska poxvirus isolate, containing 206 predicted open reading frames. Phylogenetic analysis of the conserved central region of the genome suggested the Alaska isolate shares a common ancestor with Old World OPXVs and is diverged from New World OPXVs. We propose this isolate as a member of a new OPXV species, Alaskapox virus (AKPV). The AKPV genome contained host range and virulence genes typical of OPXVs but lacked homologs of C4L and B7R, and the hemagglutinin gene contained a unique 120 amino acid insertion. Seven predicted AKPV proteins were most similar to proteins in non-OPXV Murmansk or NY_014 poxviruses. Genomic analysis revealed evidence suggestive of recombination with Ectromelia virus in two putative regions that contain seven predicted coding sequences, including the A-type inclusion protein.

60 APPLIED LIFE SCIENCES↗

Data and scripts associated with the manuscript "Encoding Diel Hysteresis and the Birch Effect in Dryland Soil Respiration Models through Knowledge-Guided Deep Learning"

This package contains the data and scripts used in "Encoding Diel Hysteresis and the Birch Effect in Dryland Soil Respiration Models through Knowledge-Guided Deep Learning" (Jiang et al., 2022). The data.zip file contains the flux tower and automated chamber observations used for developing the deep learning model for modeling soil respiration. The scripts.zip file contains the Jupyter notebooks and python scripts for preprocessing the data, training the deep learning models, and postprocessing the results. The src.zip contains the source code for training the deep learning model, performing mutual information analysis, and plotting functions. The trained_models.zip contains multiple folders used for hosting the trained deep-learning models and the associated soil respiration predictions. The whole process is performed using python. We include the REAMD.md to document the python package requirements.Soil respiration in dryland ecosystems is challenging to model due to its complex interactions with environmental drivers. Knowledge-guided deep learning provides a much more effective means of accurately representing these complex interactions than traditional Q10-based models. Mutual information analysis revealed that future soil temperature shares more information with soil respiration than past soil temperature, consistent with their clockwise diel hysteresis. We explicitly encoded diel hysteresis, soil drying, and soil rewetting effects on soil respiration dynamics in a newly designed Long Short Term Memory (LSTM) model. The model takes both past and future environmental drivers as inputs to predict soil respiration. The new LSTM model substantially outperformed three Q10-based models and the Community Land Model when reproducing the observed soil respiration dynamics in a semi-arid ecosystem. The new LSTM model clearly demonstrated its superiority for temporally extrapolating soil respiration dynamics, such that the resulting correlation with observational data is up to 0.7 while the correlations of both Q10-based models and the Community Land Model (CLM) are less than 0.4. Our results underscore the high potential for knowledge-guided deep learning to replace Q10-based soil respiration modules in Earth system models.

54 ENVIRONMENTAL SCIENCES↗

A Collaboration Website for Muon Catalyzed Fusion and Muon Beam Production

This project sets up a website to support the nascent Muon Catalyzed Fusion collaboration including development of particle accelerators and transport beamlines for muon beams. The website is envisioned as having the general public information pages and private pages for collaboration members. Multimedia elements like images, text animations, and video lectures, covering a broad spectrum of topics will populate the educational site, covering muon facilities, to comprehensive explorations and seminal documents that define the science of Muon Catalyzed Fusion, Acceleration, Applications, Instrumentation, Beamline Design, and beam dynamics design codes. Ensuring compatibility across devices and operating systems, it also features integration with Google Docs for collaboration, a code repository (GitHub), a blog platform with comments (WordPress), the potential for ChatGPT integration and interactive graph plotting with Python Plotty to enhance data visualization. This project will maintain public and protected private pages, due to the proprietary nature of the work or research in progress. The public sections will be built to foster dissemination of information and highlight recent work within the NK Labs collaboration, including lectures, published papers, and regular blog posts with open commenting. The private section will support unpublished or nonpublic research, by facilitating collaborative efforts through integrated Google Docs and Python Plotty for shared graphing work. Ultimately, this project strives to make complex scientific knowledge more accessible to the public, foster enhanced collaboration, and serve as a platform for sharing cutting-edge research in Muon Catalyzed Fusion and Accelerators.

43 PARTICLE ACCELERATORS↗

PERKS: a Locality-Optimized Execution Model for Iterative Memory-bound GPU Applications

Iterative memory-bound solvers commonly occur in HPC codes. Typical GPU implementations have a loop on the host side that invokes the GPU kernel as much as time/algorithm steps there are. The termination of each kernel implicitly acts the barrier required after advancing the solution every time step. We propose an execution model for running memory-bound iterative GPU kernels: PERsistent KernelS (PERKS). In this model, the time loop is moved inside persistent kernel, and device-wide barriers are used for synchronization. We then reduce the traffic to device memory by caching subset of the output in each time step in the unused registers and shared memory. PERKS can be generalized to any iterative solver: they largely independent of the solver's implementation. We explain the design principle of PERKS and demonstrate effectiveness of PERKS for a wide range of iterative 2D/3D stencil benchmarks (geomean speedup of 2.12x for 2D stencils and 1.24x for 3D stencils over state-of-art libraries), and a Krylov subspace conjugate gradient solver (geomean speedup of 4.86x in smaller SpMV datasets from SuiteSparse and 1.43x in larger SpMV datasets over a state-of-art library). All PERKS-based implementations available at: https://github.com/neozhang307/PERKS.

Zhang, Lingqi↗

CASM — A software package for first-principles based study of multicomponent crystalline solids

CASM is a software package that enables first-principles based studies of crystalline materials. It has been designed to treat coupled chemical, mechanical, vibrational, and magnetic degrees of freedom to determine ground state and finite temperature properties of crystals. The symmetry of the underlying parent crystal structure is used to enumerate perturbations of the parent crystal structure and generate derivative structures which can be input to first-principles calculations in order to explore the ground state energy landscape. CASM algorithmically constructs cluster expansions that fully couple discrete and continuous degrees of freedom, and generates highly efficient code to evaluate the cluster expansion basis functions. Widely used machine learning methods are integrated for fitting expansion coefficients to first-principle calculations. The fully parameterized cluster expansions can be combined with (kinetic) Monte Carlo methods to calculate finite temperature thermodynamic and kinetic properties. CASM Alloy Manager identifies distinct parent crystal structures in an alloy system, creating individual projects for each, and integrating the results. The integrated infrastructure facilitates the linkage between first-principles statistical mechanics predictions with higher length scale computational methods, such as phase field simulations. In conclusion, CASM projects are designed to be easy to share in repositories, to re-use, and to extend to include additional chemical species or types of degrees of freedom.

36 MATERIALS SCIENCE↗

A NWB-based dataset and processing pipeline of human single-neuron activity during a declarative memory task

A challenge for data sharing in systems neuroscience is the multitude of different data formats used. Neurodata Without Borders: Neurophysiology 2.0 (NWB:N) has emerged as a standardized data format for the storage of cellular-level data together with meta-data, stimulus information, and behavior. A key next step to facilitate NWB:N adoption is to provide easy to use processing pipelines to import/export data from/to NWB:N. Here, we present a NWB-formatted dataset of 1863 single neurons recorded from the medial temporal lobes of 59 human subjects undergoing intracranial monitoring while they performed a recognition memory task. We provide code to analyze and export/import stimuli, behavior, and electrophysiological recordings to/from NWB in both MATLAB and Python. The data files are NWB:N compliant, which affords interoperability between programming languages and operating systems. This combined data and code release is a case study for how to utilize NWB:N for human single-neuron recordings and enables easy re-use of this hard-to-obtain data for both teaching and research on the mechanisms of human memory.

Science & Technology - Other Topics↗

Berkeley Lab Finite Element Framework (BELFEM) v0.1

The software program, referred to as BELFEM, is a specialized finite element code designed for the magnetodynamic modeling of high-temperature superconducting (HTS) tapes. It incorporates novel mixed finite element formulations, particularly the h-ϕ-formulation with thin-shell simplification, to efficiently simulate larger geometries. This methodology is extremely promising for predicting the electrodynamic performance of HTS tapes used in superconducting cables and magnets, offering the benefit of reduced computational cost. Compared to similar technologies like COMSOL Multiphysics and GetDP, BELFEM's performance benchmarking indicates superior efficiency in its thin-shell implementation. In the future, it will also support features like thermal coupling and inter-tape current sharing, enhancing its utility in research and development, particularly in nuclear fusion applications. The intent is to develop BELFEM as a robust and efficient tool for the HTS community, contributing to the analysis and design of superconducting cables and magnets.

Messe, Christian↗

Data Locality Enhancement of Dynamic Simulations for Exascale Computing (Final Report)

The development of modern processors exhibits two trends that complicate the optimizations of modern software. The first is the increasing sensitivity of processors' throughput to irregularities in computation. With more processors produced through a massive integration of simple cores, future systems will increasingly favor regular data-level parallel computations, but deviate from the needs of applications with complex patterns. Some evidences are already shown on Graphic Processing Units (GPU): Irregular data accesses (e.g., indirect references A[D[i]]) and conditional branches are limiting many GPU applications' performance at a level an order of magnitude lower than the peak of GPU. The second hardware trend is the growing gap between memory bandwidth and the aggregate speed—that is, the sum of all cores' computing power—of a Chip Multiprocessor (CMP). Despite the capped growth of the peak CPU speed, the aggregate speed of a CMP keeps increasing as more cores get into a single chip. It is expected that by 2018, node concurrency in an exascale system will increase by hundreds of times, whereas, memory bandwidth will expand by only 10 to 20 times. Consequently, data movement and storage is expected to consume more than 70% of the total system power. Bridging this gap is difficult; the complexities of modern CMP memory hierarchy make it even harder: Data cache becomes shared among computing units, and the sharing is often non-uniform—whether two computing units share a cache depends on their proximity and the level of the cache. On the recent IBM Power7 architecture, for instance, four hardware contexts (or SMT threads) in a core share the entire memory hierarchy, all cores in one chip share an on-chip L3 cache, and cores across chips share L3 and main memory through off-chip connections. These two trends complicate the translation of computing power into performance, especially for a program with either intensive data accesses or complex patterns in data accesses or control flow paths. Unfortunately, both attributes present and will persist in a class of important applications. For instance, many scientific simulations deal with a large volume of data. And meanwhile, as most real-world processes are non-uniform and evolving (e.g., the evolution of a galaxy or the process of a drug injection), both the computations and data accesses of these programs tend to be irregular and dynamically changing. Currently, the lack of support to these applications on modern CMP severely limits their performance. On GPU, as our recent study shows and other studies echo, performance enhancement of a factor of integers is possible when memory accesses or control flows are streamlined for a set of GPU applications. On multicore CPU, our studies show that traditional locality enhancement, for being oblivious to the new features of multicore memory hierarchy, may even cause large slowdown to data-intensive dynamic applications. The severity of the issues is expected to worsen as the two hardware trends continue. Some recent studies try to match software with the trends, but in a limited scope or manner. For irregularities on GPU, most studies focus on irregularities analyzable through static analysis (e.g., data accesses in regular loops). Dynamic irregularities are harder to address because the needed analysis and transformations typically have to happen at run time. Some other research resorts to hardware extensions, an actual adoption of which is unclear for the entailed space cost and complexity. For data locality, recent years have seen some exploitations of the new memory hierarchy on multicore for performance, but most of them are on process or thread scheduling, rather than program transformations. Our recent study reveals that program-level transformations may magnify the scheduling benefits by a factor of seven, concluding that program-level transformation should play a central role for data locality enhancement on modern CMP. But research in this direction has been sparse, and most have focused on data layout or cache performance modeling, rather than program transformations to match with the new memory hierarchy features. Overall, it is still an open question how to bridge the gap between dynamic computations and the two prominent properties of modern processors. The goal of this project is to develop a set of techniques and software tools to enhance the matching between memory accesses in dynamic simulations and the prominent features of modern and future CMP, alleviating the memory performance issues for petascale and exascale computing. This report summarizes the discoveries and products produced throughout this project. It includes free launch, a new software approach to overcoming the shortcomings of both methods; coherence-free multiview, an approach that allows multiple views of a single data object to co-exist on GPU memory during a GPU kernel execution; algorithmic optimizations to data analytics problems, especially those that involve lots of distance calculations. Supporting dynamic parallelism is important for GPU to benefit a broad range of applications. There are currently two fundamental ways for programs to exploit dynamic parallelism on GPU: a software-based approach with software-managed worklists, and a hardware-based approach through dynamic subkernel launches. Neither is satisfactory. The former is complicated to program and is often subject to some load imbalance; the latter suffers large runtime overhead. In this work, we propose free launch, a new software approach to overcoming the shortcomings of both methods. It allows programmers to use subkernel launches to express dynamic parallelism. It employs a novel compiler-based code transformation named subkernel launch removal to replace the subkernel launches with the reuse of parent threads. Coupled with an adaptive task assignment mechanism, the transformation reassigns the tasks in the subkernels to the parent threads with a good load balance. The technique requires no hardware extensions, immediately deployable on existing GPUs. It keeps the programming convenience of the subkernel launch-based approach while avoiding its large runtime overhead. Meanwhile, its superior load balancing makes it outperform manual worklist-based techniques by 3X on average. The work was published at the 48th Annual IEEE/ACM International Symposium on Microarchitecture (Micro'2015). A Graphic Processing Unit (GPU) system is typically equipped with many types of memory (e.g., global, constant, texture, shared, cache). Data placement determines what data are placed on which type of memory, essential for GPU memory performance. Prior optimizations of data placement always require a single view of a data object on memory, which limits the optimization effectiveness. In this work, we propose coherence-free multiview, an approach that allows multiple views of a single data object to co-exist on GPU memory during a GPU kernel execution. We demonstrate that under certain conditions, the multiple views can remain incoherent while facilitating enhanced data placement. We present a theorem and some compiler support to ensure the soundness of the usage of coherence-free multiview. We further develop reference-discerning data placement, a new way to enhance data placements on GPU. It enables more flexible data placements by using coherence-free multiview to leverage the slack in coherence requirement of some GPU programs. Experiments on three types of GPU systems show that, with less than 200KB space cost, the new data placement technique can provide a 1.6X average (up to 4.27X) speedup. In addition, we have examined algorithmic optimizations to data analytics problems, especially those that involve lots of distance calculations. Computing distances among data points is an essential part of many important algorithms in data analytics, graph analysis, and other domains. In each of these domains, developers have spent significant manual effort optimizing algorithms, often through novel applications of the triangle equality, in order to minimize the number of distance computations in the algorithms. In this work, we observe that many algorithms across these domains can be generalized as an instance of a generic distance-related abstraction. Based on this abstraction, we derive seven principles for correctly applying the triangular inequality to optimize distance-related algorithms. Guided by the findings, we develop Triangular OPtimizer (TOP), the first software framework that is able to automatically produce optimized algorithms that either matches or outperforms manually designed algorithms for solving distance-related problems. TOP achieves up to 237x speedups and 2.5X on average. The work has been published at the 32nd International Conference on Machine Learning (ICML'15) and the 41st International Conference on Very Large Data Bases (VLDB'15).

42 ENGINEERING↗

LevSeq: Rapid Generation of Sequence-Function Data for Directed Evolution and Machine Learning

Sequence-function data provides valuable information about the protein functional landscape but is rarely obtained during directed evolution campaigns. Here, we present Long-read every variant Sequencing (LevSeq), a pipeline that combines a dual barcoding strategy with nanopore sequencing to rapidly generate sequence-function data for entire protein-coding genes. LevSeq integrates into existing protein engineering workflows and comes with open-source software for data analysis and visualization. The pipeline facilitates data-driven protein engineering by consolidating sequence-function data to inform directed evolution and provide the requisite data for machine learning-guided protein engineering (MLPE). LevSeq enables quality control of mutagenesis libraries prior to screening, which reduces time and resource costs. Simulation studies demonstrate LevSeq’s ability to accurately detect variants under various experimental conditions. Lastly, we show LevSeq’s utility in engineering protoglobins for new-to-nature chemistry. Widespread adoption of LevSeq and sharing of the data will enhance our understanding of protein sequence-function landscapes and empower data-driven directed evolution.

59 BASIC BIOLOGICAL SCIENCES↗

INVESTIGATING THE CIRCUMSTELLAR DISK OF THE Be SHELL STAR 48 LIBRAE

A global disk oscillation implemented in the viscous decretion disk (VDD) model has been used to reproduce most of the observed properties of the well known Be star ζ Tau. 48 Librae shares several similarities with ζ Tau—they are both early-type Be stars, display shell characteristics in their spectra, and exhibit cyclic V / R variations—but has some marked differences as well, such as a much denser and more extended disk, a much longer V / R cycle, and the absence of the so-called triple-peak features. We aim to reproduce the photometric, polarimetric, and spectroscopic observables of 48 Librae with a self-consistent model, and to test the global oscillation scenario for this target. Our calculations are carried out with the three-dimensional NLTE radiative transfer code HDUST. We employ a rotationally deformed, gravity-darkened central star surrounded by a disk whose unperturbed state is given by the VDD model. A two-dimensional global oscillation code is then used to calculate the disk perturbation and superimpose it on the unperturbed disk. A very good, self-consistent fit to the time-averaged properties of the disk is obtained with the VDD. The calculated perturbation has a period P = 12 years, which agrees with the observed period, and the behavior of the V / R cycle is well reproduced by the perturbed model. The perturbed model improves the fit to the photometric data and reproduces some features of the observed spectroscopic data. Some suggestions to improve the synthesized spectroscopy in a future work are given.

79 ASTRONOMY AND ASTROPHYSICS↗

SU-D-BRD-01: An Automated Physics Weekly Chart Checking System Supporting ARIA

Purpose: A software tool was developed in this study to perform automatic weekly physics chart check on the patient data in ARIA. The tool accesses the electronic patient data directly from ARIA server and checks the accuracy of treatment deliveries, and generates reports which summarize the delivery history and highlight the errors. Methods: The tool has four modules. 1) The database interface is designed to directly access treatment delivery data from the ARIA database before reorganizing the data into the patient chart tree (PCT). 2) PCT is a core data structure designed to store and organize the data in logical hierarchies, and to be passed among functions. 3) The treatment data check module analyzes the organized data in PCT and stores the checking results into PCT. 4) Report generation module generates reports containing the treatment delivery summary, chart checking results and plots of daily treatment setup parameters (couch table positions, shifts of image guidance). The errors that are found by the tool are highlighted with colors. Results: The weekly check tool has been implemented in MATLAB and clinically tested at two major cancer centers. Javascript, cascading style sheets (CSS) and dynamic HTML were employed to create the user-interactive reports. It takes 0.06 second to search the delivery records of one beam with PCT and compare the delivery records with beam plan. The reports, saved in the HTML files on shared network folder, can be accessed by web browser on computers and mobile devices. Conclusion: The presented weekly check tool is useful to check the electronic patient treatment data in Varian ARIA system. It could be more efficient and reliable than the manually check by physicists. The work was partially supported by a research grant from Varian Medical System.

60 APPLIED LIFE SCIENCES↗

EVSE DERMS Controls [SWR-26-010]

An MQTT (Message Queuing Telemetry Transport) and OCPP (Open Charge Point Protocol) based remote smart charging controller framework for AC Electric Vehicle Supply Equipments (EVSEs). The code in this repo allows for the National Laboratory of the Rockies (NLR) controls to interface with the real Distributed Energy Resource Management System (DERMS) and EVSEs in NLR's ESIF Optimization and Control Laboratory (OCL). Different charge management algorithms can be tested to determine which power allocation method is most effective with the overall goal of demonstrating clear and well documented test results as well as providing functional control algorithms which could be utilized to provide effective smart charge management (SCM) at EV charging stations. Different power allocation methods are programmed in lab_demo_controller.py and include allocation based on first come first served, equal sharing, state of charge (SOC), priority factors, and behind the meter control methods.

Panossian, Nadia [National Laboratory of the Rocki↗

The MolSSI QCArchive project: An open-source platform to compute, organize, and share quantum chemistry data

The Molecular Sciences Software Institute's (MolSSI) Quantum Chemistry Archive (QCArchive) project is an umbrella name that covers both a central server hosted by MolSSI for community data and the Python-based software infrastructure that powers automated computation and storage of quantum chemistry (QC) results. The MolSSI-hosted central server provides the computational molecular sciences community a location to freely access tens of millions of QC computations for machine learning, methodology assessment, force-field fitting, and more through a Python interface. Facile, user-friendly mining of the centrally archived quantum chemical data also can be achieved through web applications found at the website. The software infrastructure can be used as a standalone platform to compute, structure, and distribute hundreds of millions of QC computations for individuals or groups of researchers at any scale. The QCArchiveInfrastructure is open-source (BSD-3C), code repositories can be found at github, and releases can be downloaded via PyPI and Conda. This article is categorized under: Electronic Structure Theory > Ab Initio Electronic Structure Methods Software > Quantum Chemistry Data Science > Computer Algorithms and Programming

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Evaluation of Hardware and Software Bill of Materials (HBOMs/SBOMs) Extraction Methods

Hardware and software bills of materials (HBOMs and SBOMs) provide important visibility into the components, dependencies, and supply chain relationships within programmable digital devices. This visibility is critical for advanced nuclear reactor applications, where use of common or shared hardware components, software libraries, suppliers, or manufacturing processes may create common cause failure (CCF) vulnerabilities despite apparent diversity. This paper evaluates current approaches for obtaining and analyzing HBOMs and SBOMs in support of CCF, diversity and defense-in-depth (D3) assessments, and begins to explore potential methods for artificial intelligence/machine learning-based analysis. The availability of BOM information from advanced reactor manufacturers and vendors, representative hardware and software categories found in advanced reactor systems continues to limit research [13]. This paper compares commonly used BOM formats, including CycloneDX, SPDX, and SWID. It also surveys publicly available tools for generating BOMs from source code, compiled binaries, and hardware-related information, noting limitations in language coverage, system age, and format interoperability. Finally, this paper evaluates methods for correlating BOM data with vulnerability and exploitability information, including VEX, CVE, and CWE resources. The findings indicate that publicly available nuclear-vendor BOMs are limited, making third-party extraction and research into novel analysis techniques necessary.

Cybersecurity↗

pystorms: A simulation sandbox for the development and evaluation of stormwater control algorithms

Advances in cyber–physical technologies have enabled real-time sensing and adaptive control of stormwater infrastructure. These smart stormwater systems allow for inexpensive, minimally-invasive stormwater control interventions in lieu of new construction. Importantly, however promising the area of smart stormwater control, there still remain barriers – for experts and novices alike – to access shared tools and methods for investigating, developing, and contributing to it. In an effort to make smart stormwater control research more methodical and accessible, we present pystorms, an open-source Python-based simulation sandbox that facilitates the quantitative evaluation and comparison of control strategies. pystorms consists of a collection of real world-inspired smart stormwater control scenarios on which any number of control strategies can be applied and tested via an accompanying Python programming interface and coupled stormwater simulator. pystorms provides a framework for the rigorous and efficient evaluation of smart stormwater control methodologies across diverse watersheds with only a few lines of code.

54 ENVIRONMENTAL SCIENCES↗

Dual Context: Leveraging Structured Application Context for Code Generation and Runtime Feature Activation via Chat Interfaces

Integrating artificial intelligence (AI) capabilities into software applications typically involves two common paths. For developers, AI assists in generating and documenting source code and other related software engineering efforts. For users, AI assists them through question-and-answer exchanges via chatbots. Both approaches have their value, but neither effectively leverages the modularity of component-based architectures that modern web application frameworks offer. We implement a proof of concept within a centralized suite of applications used for the Atmospheric Radiation Measurement (ARM) Data Center Operational Tools, where we introduce a third integration path through the ARM Context Engine (ACE). ACE is a context driven system that uses structured contextual specifications to enable Large Language Models (LLMs) to render interactive and feature-rich user interface (UI) components directly within chat responses, alongside or in place of conventional text outputs. These specifications serve two important purposes across what we call code context and UI context. Code context provides AI-assisted development tools with structured application knowledge beyond raw code, including component relationships, architectural patterns and schematic information, enabling the generation of consistent, well-structured code. UI context defines the rules for enabling and rendering component features at runtime based on the user's natural language input, allowing end users to activate capabilities such as data export, filtering, and pagination within chat responses, without requiring code changes or redeployment. We demonstrate, through a comparative evaluation against general-purpose AI chatbots, that context-driven component rendering provides interactive capabilities that text-based responses cannot replicate, including deterministic component behavior, application-consistent design language, and on-demand feature activation. A development effort comparison further shows that features that traditionally require multi-step development cycles can be activated with a single naturallanguage request. In this ongoing work, we present ACE as an emerging approach to AI integration that positions modular, well-documented software architecture as the foundation for AI-ready applications. ACE treats context as a shared resource across both development and user-facing AI, bringing cohesion to conventionally disconnected efforts, bridging developer tooling and end-user capabilities within a single framework.

Tadimeti, Vijay [ORNL]↗

Final Technical Report: "Achieving Regional Energy Efficiency Potential in the Southeast”

The overall objective of this award was to facilitate sharing of DOE resources and best practices as well as provide technical assistance to key stakeholders to support greater compliance with energy efficiency standards and increased energy savings. The outcomes of this award include greater awareness among key stakeholders on energy efficiency topics, increased deployment and utilization of DOE resources, and effective policies and programs to support energy efficiency in the Southeast.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗

Mathematical model and calculation algorithm of micro and meso levels of separation process of gaseous mixtures in molecular sieves

In the given article, the main thermodynamic aspects of the issue of modeling diffusion transfer in molecular sieves have been formulated. Dissipation function is used as a basic notion. The differential equation, connecting volume flow with the change of the concentration of catchable component has been derived. As a result, the expression for changing the concentration of the catchable component and the coefficient of membrane detecting has been received. As well, the system approach to describing the process of gases separation in ultra porous membranes has been realized and micro and meso-levels of mathematical modeling have been distinguished. The non-ideality of the shared system is primarily taken into consideration at the micro-level and the departure from the diffusion law of Fick has been taken into account. The calculation method of selectivity considering fractal structure of membranes has been developed at the meso level. The calculation algorithm and its software implementation have been suggested.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗