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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 19 records
All sourcesNASA NTRSDOE OSTI
DOE OSTI2026

Bemnifosbuvir: An HCV NS5B Inhibitor With Multiple Modes of Action

Bemnifosbuvir (BEM) is a potent, pan-genotypic inhibitor targeting the hepatitis C virus (HCV) NS5B polymerase. Its antiviral activity was evaluated in an ascending dose phase I clinical trial involving 30 patients treated once a day for 7 days. After treatment initiation, plasma HCV RNA declined in a biphasic manner with a mean reduction of 2.3 log 10 IU/mL after 24 hours and 4.4 log10 IU/mL by day 7 for the highest dose. Alanine aminotransferase (ALT) also normalized in most patients. We employed a multiscale mathematical model fitted to the HCV RNA and ALT dynamics to quantify the antiviral activity and evaluate the modes of action of BEM. We found that models in which BEM only acted as a typical HCV RNA polymerase inhibitor and reduced the intracellular production of HCV RNA did not fit the data as well as models in which BEM had multiple modes of action, including suppressing viral assembly and secretion and enhancing intracellular HCV RNA degradation. BEM's effectiveness in inhibiting intracellular HCV RNA production increased with dose (150 mg/day: 88.2%, 300 mg/day: 98.8%, 600 mg/day: 99.5%), while inhibition of viral assembly and release was ~95% effective regardless of dose. We observed a dose-dependent enhancement in the degradation of intracellular HCV RNA, with degradation rates 1.5-fold higher in patients receiving 300 mg/day and 2.7-fold higher in those receiving 600 mg/day than in patients receiving 150 mg/day. No significant differences in antiviral activity were detected between HCV genotypes 1b and 3 or between patients with and without compensated cirrhosis.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2025

Enhancing occupant behavior representation for interoperability between building information modeling and building energy modeling

Building Performance Simulation (BPS) has been adopted as an essential tool for designing, operating, and retrofitting buildings to optimize energy efficiency throughout the building life cycle. The Green Building XML (gbXML) schema facilitates seamless data exchange between Building Information Modeling (BIM) and Building Energy Modeling (BEM) software tools. However, limited occupant behavior (OB) representation in BIM often leads to inconsistent and inaccurate energy simulation in BEM software. This paper presents 154 systematic enhancements to the existing occupant behavior XML (obXML) schema v1.3.4, initially developed for standardizing OB representation for BEM, to address existing limitations and improve interoperability with BIM models. The enhancements encompass improved integration with BIM models through extended building representations and system operations, expanded support for advanced OB models with additional environmental parameters and mathematical capabilities, and implementation of a standardized model documentation framework. To facilitate seamless data transformation between gbXML and obXML schemas, we developed a publicly available gb-obXML Schema Converter. Three case studies demonstrate the enhanced schema’s capabilities: representation of building information using a two-story office building model, documentation of a window operation behavior model, and validation of the schema converter’s functionality. The enhanced obXML schema v1.4 enables sophisticated modeling of occupant-building interactions while maintaining consistency with industry-standard BIM schemas. The standardized documentation framework facilitates reproducibility and knowledge sharing in the OB research community, while the schema converter automates the integration of building information into OB simulation workflows. These enhancements establish a foundation for more accurate building performance simulation by supporting sophisticated representation of occupant behavior within the BIM-to-BEM simulation workflows.

Chung, Jihoon↗
DOE OSTI2024

OpenStudio Development, Maintenance, and Support

BEM is a key decision support tool for energy efficiency, demand flexibility, and electrification at the building and building stock levels. The OpenStudio SDK maximizes the value of BEM by enhancing the productivity, consistency, and transparency with which it is applied. OpenStudio enables BEM experts to encapsulate domain and process knowledge in such a way that makes it usable by a range of stakeholders.

BEM↗
DOE OSTI2024

A deep learning-based Bayesian framework for high-resolution calibration of building energy models

Calibrating building energy models (BEMs), i.e., closing discrepancy between modeling and field measurements, is of significance to support its applications in building sustainability and resilience analysis. However, as being widely used in practice, current Bayesian calibration is mostly performed in low-resolution (annual or monthly), instead of high-resolution (hourly or sub-hourly), which is crucial to support emerging BEM applications, such as building-renewable energy integration (demand response) and smart control. This is attributable to the gaps in current Bayesian calibration process, including (1) difficulty in supporting reliable high-resolution calibration with over-parameterization and multi-solution issues, (2) inadequacy of meta-model to capture temporal building dynamics in high-resolution, and (3) excessive computational burdens of covariance matrix calculation in Bayesian inference. Therefore, to close these gaps, this research proposes a novel deep learning-based Bayesian calibration framework, involving pre-calibration mechanism, Long Short-Term Memory as surrogate models, and simplified covariance matrix calculation, to calibrate BEMs in high temporal resolution (i.e., hourly) with enhanced accuracy and computational efficiency. Finally, the case study demonstrates its effectiveness to match modeling outcomes with measurements and realize CV-RMSE of < 30 % and NMBE of < 6 % in hourly resolution, as well as a significant reduction of calibration time (by > 99 %, from > 600 h to ~ 1.5 h).

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
DOE OSTI2025

Automatic building energy model development and debugging using large language models agentic workflow

Building energy modeling (BEM) is a complex process that demands significant time and expertise, limiting its broader application in building design and operations. While Large Language Models (LLMs) agentic workflow have facilitated complex engineering processes, their application in BEM has not been specifically explored. This paper investigates the feasibility of automating BEM using LLM agentic workflow. Here, we developed a generic LLM-planning-based workflow that takes a building description as input and generates an error-free EnergyPlus building energy model. Our robust workflow includes four core agents: 1) Building Description Pre-Processing, 2) IDF Object Information Extraction, 3) Single IDF Object Generator Suite, and 4) IDF Debugging Agent. These agents divide the complex tasks into manageable sub-steps, enabling LLMs to generate accurate and reliable results at each stage. The case study demonstrates the successful translation of a building description into an error-free EnergyPlus model for the iUnit modular building at the National Renewable Energy Laboratory. The effectiveness of our workflow surpasses: 1) naive prompt engineering, 2) other LLM-based workflows, and 3) manual modeling, in terms of accuracy, reliability, and time efficiency. The paper concludes with a discussion on the interplay between foundational models and LLM agent planning design, advocating for the use of fine-tuned, specialized models to advance this field.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2025

Method of Test for Evaluating Building Performance Simulation Software

ANSI/ASHRAE Standard 140 Method of Test for Evaluating Building Performance Simulation Software specifies the method to test the core competency of building performance simulation (BPS) software, a broad class of software which includes building energy modeling (BEM) software. Standard 140 has been widely used by BEM software vendors to help diagnose and compare the results from the program with other modeling programs. The Standard is also referenced by codes, standards, government programs, and other incentive programs as a part of minimum requirements for qualifying BEM software. The explanatory information, summary tables and figures in this 140 User’s Manual (referred to as “this Manual”) are provided to help users in implementing various suites of tests specified in Standard 140-2023 (referred to in this manual as “Standard 140” or “the Standard”).

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2026

Simulation-Based Validation of An Open-Source, Scalable Framework for Building Energy Management in Small and Medium-Sized Commercial Buildings

Abstract: Small and medium-sized commercial buildings (SMCBs) represent 94% of U.S. commercial buildings but encounter substantial obstacles in adopting Building Energy Management (BEM) systems. Current approaches exhibit fundamental limitations: vendor-specific API platforms restrict interoperability through proprietary ecosystems; commercial automation software demands extensive technical expertise and licensing costs; open-source IoT solutions lack native support for building automation protocols and semantic models. This paper introduces a configuration-driven web interface framework addressing the gap between smart device advancements and accessible BEM software infrastructure for SMCBs. The framework leverages VOLTTRON middleware integrated with an automated converter that processes unified YAML configurations into heterogeneous system files, reducing required configuration artifacts from six separate files to a single unified specification. The system architecture enables vendor-agnostic operation through BACnet and Modbus protocols while supporting semantic building model integration via automated Brick Schema parsing. Configuration-driven interfaces automatically adapt to diverse HVAC types without custom development. Simulation-based validation using BOPTEST demonstrates automatic interface generation between fan coil and hydronic systems, with the automated converter successfully generating all platform-specific outputs from the single YAML input. The result demonstrates the framework's capability to streamline BEM system deployment through reduced configuration complexity. This work bridges simulation capabilities with operational deployment, demonstrating how virtual testbeds validate generalizable software frameworks for real-world building automation.

Chung, Jihoon [ORNL] (ORCID:0000000184880815)↗
DOE OSTI2025

Heating Ventilation Air-Conditioning (HVAC) System Analysis and Optimization for Revit with the OpenStudio Analytical Framework (CRADA Final Report)

This project proposes to integrate the NREL-developed OpenStudio (OS) and its accompanying Analytical Framework (OSAF) into Autodesk’s (ADSK’s) market leading suite of building information modeling (BIM) tools. As a result, BIM users will gain access to advanced (but user-friendly) building energy modeling (BEM), calibration, and design optimization capabilities. Following integration, the BIM software will automatically generate a consistent OS-based BEM model, allowing users to develop projects in an integrated manner, moving back and forth between architectural and engineering perspectives without redundancy or data loss, saving time and effort.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
DOE OSTI2025

pnnl/openstudio-building-energy-standard-measures-gem

The OpenStudio Building Energy Standards Measure Repository is a comprehensive collection of innovative OpenStudio measures designed to facilitate energy code analysis. OpenStudio is a cutting-edge platform brings together physics-based building energy modeling (BEM), BEM process automation, and large-scale computing capabilities. Contains OpenStudio Standards Performance Rating Method Measure (IPID 32936) and OpenStudio Measure to Generate IPLV-specific Chiller Performance Curves for Chillers (IPID 32940)

Xu, Weili [PNNL]↗
DOE OSTI2025

Deep Design Data Portal (D3P) v0.01

The Deep Design Data Portal (D3P) tool was developed to demonstrate how readily accessible data sources, such as building energy model reports for design and baseline energy performance data for projects, can provide the data required for reporting to an industry initiative (AIA 2030 commitment), as well as more detailed data that makes the industry dataset more valuable to all stakeholders, enabling project level analysis and analysis of BEM industry trends. D3P provides an easier and less time-consuming way for firms to auto-extract data from this data source, compared to the current reporting workflows of the firms. The BEM reports are the first of several data sources that D3P could integrate. D3P also provides the ability for firms to review, compare, and evaluate the performance of their projects to not only their portfolio, but also to the larger anonymized industry dataset created each time a project is added to D3P. The intent of D3P is to become part of a data-sharing ecosystem to assist creating large anonymized industry datasets that are accessible to industry.

Regnier, Cynthia [Lawrence Berkeley National Labor↗
DOE OSTI2026

Numerical Modeling of a Two-Stage Ocean Current Turbine

The Equinox Ocean Turbines (EQOT) current energy converter has a unique design with power generation in two small-diameter turbines attached to the tips of a large-diameter passive rotor. This configuration offers some key advantages for capturing ocean currents. With no centrally placed generator, almost no reaction torque is required at the nacelle of the main large-diameter rotor, and the small-diameter tip turbine generators operate at a higher speed and lower torque. The physics that determine the performance and loads on the turbine are also unique. The interactions of the flow field between the two stages and the general architecture of the system cannot be captured with traditional mid-fidelity modeling tools. For design iterations and large sets of load cases, it is important to have mid-fidelity models that can capture the important phenomenon with enough accuracy to identify global trends. This work uses a limited set of high-fidelity computational fluid dynamics (CFD) simulations to help inform the selection of and construction of a custom mid-fidelity model. Mid-fidelity modeling approaches were verified by comparing key turbine performance quantities to those found with the CFD model. Hydrodynamic interactions of the two-stage rotor were identified through high-fidelity CFD modeling. This highlighted the impact of the main rotor tip vortex and wake on the secondary rotor apparent inflow. This results in a relative flow rotation and sharp deficit, that change the optimal secondary rotor rotation speed and adds unsteadiness to the blade loading respectively. Multiple mid-fidelity approaches were evaluated for their ability to capture these effects. A simple approximation of the combined-stage performance based on single-stage BEM provides a reasonable rough prediction, especially near the peak TSR values, with some larger discrepancy at higher TSRs. Predicting the combined-stage performance based on single-stage CFD data improves this prediction across the TSR range. Although the combined-stage modeling in OLAF was not successful in this stage of the project, it showed promise as a mid-fidelity method, assuming the parameters can be tuned to account for the significant differences in time and length scales between the main and secondary rotors. This may be addressed through code changes in future work. A significant finding from the OLAF work was the agreement between the vortex core radius values found independently via a parameter space search and via CFD. The technique of using single-stage secondary rotor BEM, with a custom inflow taken from single-stage main rotor CFD or OLAF, provides an efficient method to capture one-way coupled flow interactions. This method provided generally good predictions of the impact of the flow rotation on the secondary rotor but struggled to accurately predict the peaks of the unsteady load progression. Future work could include some superposition of a tuned main rotor trailing edge viscous wake into the custom inflow to better predict this interaction.

16 TIDAL AND WAVE POWER↗
DOE OSTI2024

Best Practices for Plug Load Management Using a Building Energy Management System

The University of California San Diego (UCSD) successfully integrated PLCs with their BEMS, which resulted in 66% energy savings over one week across 25 plug loads (K. Chia et al. 2023). UCSD documented each step of this effort, highlighting best practices along the way, in their 10-page brief, "Best Practices for Plug Load Management Using a Building Energy Management System" (also referred to as "brief" in this document). This fact sheet provides highlights and key takeaways from UCSD's brief. The reader is encouraged to read UCSD's full brief if they wish to move forward with implementing PLC integration with their BEMS.

Building Energy Management System Integration↗
DOE OSTI2026

Validating Simulated Models of Energy Consumption by a Battery Electric Motorcoach: A real-world deployment in a harsh climate.

Many efforts have been made to simulate energy consumption of battery electric buses (BEBs) to optimize their deployment into existing fleets. The models produced, however, are rarely validated against real-world consumption data, limiting their generalizability and widespread application to fleets around the US. Furthermore, a major concern specific to BEBs is the effects of harsh climates on their performance. We build upon the state-of-the-art energy consumption modeling techniques developed for BEBs and apply them to a unique geographic context and a unique electrified vehicle. This geography, climate, and vehicle further the existing understanding of the factors affecting medium- and heavy-duty electric vehicles (MHDEVs) by allowing for new relationships to be tested and by assessing the generalizability of known relationships to new contexts. We find that temperature is less predictive of energy consumption for the battery electric motorcoach (BEM) in the case study environment than it is for BEBs in other studies. A mitigating factor that we presume to be working on the relationship between temperature and energy consumption is the fact that the BEM route does not stop between origin and destination to exchange passengers, and in turn, conditioned cabin air. Our model also incorporates wind speed and direction relative to travel, which is a novel contribution of our methodology. Results from our study are helpful for transit service planners, fleet operators, and logistics firms for improving their ability to predict performance of potential deployments of MHDEVs into existing operations.

32 - ENERGY CONSERVATION, CONSUMPTION, AND UTILIZA↗
DOE OSTI2024

Defining Golden Batches in Biomanufacturing Processes From Internal Metabolic Activity to Detect Process Changes That May Affect Product Quality

ABSTRACT Cellular metabolism plays a role in the observed variability of a drug substance's Critical Quality Attributes (CQAs) made by biomanufacturing processes. Therefore, here we describe a new approach for monitoring biomanufacturing processes that measures a set of metabolic reaction rates (named Critical Metabolic Parameters (CMP) in addition to the macroscopic process conditions currently being used as Critical Process Parameters (CPP) for biomanufacturing. Constraint‐based systems biology models like Flux Balance Analysis (FBA) are used to estimate metabolic reaction rates, and metabolic rates are used as inputs for multivariate Batch Evolution Models (BEM). Metabolic activity was reproducible among batches and could be monitored to detect a deliberately induced macroscopic process shift (i.e., temperature change). The CMP approach has the potential to enable “golden batches” in biomanufacturing processes to be defined from the internal metabolic activity and to aid in detecting process changes that may impact the quality of the product. Overall, the data suggested that monitoring of metabolic activity has promise for biomanufacturing process control.

Biotechnology & Applied Microbiology↗
DOE OSTI2026

braggedgemodeling

braggedgemodeling (bem) is an open-source Python package for modeling neutron Bragg-edge imaging. It computes the wavelength-dependent total neutron cross-section of a material (coherent and incoherent elastic, coherent and incoherent inelastic scattering, and absorption) from its crystal structure, and implements the March-Dollase texture model and the Jorgensen peak profile, supporting quantitative analysis of energy-resolved neutron imaging data (phase, stress/strain, and texture). Published in the Journal of Open Source Software (2018).

Lin, Jiao [Oak Ridge National Laboratory (ORNL), O↗
DOE OSTI2025

Review of recent WEC-Sim (v6.1) advanced features

WEC-Sim (Wave Energy Converter SIMulator) is an opensource software for modeling the motions, loads and power generation of wave energy converters. WEC-Sim performs simulations in the time domain using hydrodynamic coefficients calculated by boundary element method (BEM) frequency-domain potential flow solvers such as WAMIT, NEMOH, Capytaine, or Ansys AQWA. WEC-Sim development is ongoing, including various features, applications, and example cases used to demonstrate potential use-cases to meet the needs of the growing marine energy industry. Through input from a broad user base and an extensive team of developers and collaborators, new features of WEC-Sim are developed to expand the software’s use cases and improve overall functionality. Three new WEC-Sim features highlighted in this paper include updating WEC-Sim to be compatible with MoorDyn Version 2, incorporation of second order excitation loads (quadratic transfer functions) and allowing for dynamically changing hydrodynamics.

13 HYDRO ENERGY↗
DOE OSTI2024

WRF-Comfort: simulating microscale variability in outdoor heat stress at the city scale with a mesoscale model

Abstract. Urban overheating and its ongoing exacerbation due to global warming and urban development lead to increased exposure to urban heat and increased thermal discomfort and heat stress. To quantify thermal stress, specific indices have been proposed that depend on air temperature, mean radiant temperature (MRT), wind speed, and relative humidity. While temperature and humidity vary on scales of hundreds of meters, MRT and wind speed are strongly affected by individual buildings and trees and vary on the meter scale. Therefore, most numerical thermal comfort studies apply microscale models to limited spatial domains (commonly representing urban neighborhoods with building blocks) with resolutions on the order of 1 m and a few hours of simulation. This prevents the analysis of the impact of city-scale adaptation and/or mitigation strategies on thermal stress and comfort. To solve this problem, we develop a methodology to estimate thermal stress indicators and their subgrid variability in mesoscale models – here applied to the multilayer urban canopy parameterization BEP-BEM within the Weather Research and Forecasting (WRF) model. The new scheme (consisting of three main steps) can readily assess intra-neighborhood-scale heat stress distributions across whole cities and for timescales of minutes to years. The first key component of the approach is the estimation of MRT in several locations within streets for different street orientations. Second, mean wind speed and its subgrid variability are downscaled as a function of the local urban morphology based on relations derived from a set of microscale LES and RANS simulations across a wide range of realistic and idealized urban morphologies. Lastly, we compute the distributions of two thermal stress indices for each grid square, combining all the subgrid values of MRT, wind speed, air temperature, and absolute humidity. From these distributions, we quantify the high and low tails of the heat stress distribution in each grid square across the city, representing the thermal diversity experienced in street canyons. In this contribution, we present the core methodology as well as simulation results for Madrid (Spain), which illustrate strong differences between heat stress indices and common heat metrics like air or surface temperature both across the city and over the diurnal cycle.

Geology↗
DOE OSTI2026

Exploration of Neutron-Rich Isotopes around N = 50 via the In-Flight Fission of a 345 MeV/Nucleon 238 U Beam

A search for new neutron-rich isotopes beyond $Z=28$ and $N=50$ was performed using a 345 MeV/nucleon $^{238}$U beam at RI Beam Factory in RIKEN Nishina Center. The BigRIPS separator and state-of-the-art radiation detectors were used to efficiently separate and identify the produced nuclei. For the first time, we have observed and determined the production cross sections for eight neutron-rich isotopes $^{72}$Cr, $^{74,75}$Mn, $^{77}$Fe, $^{79,80}$Co, $^{85}$Cu, and $^{90}$Ga. This study broadens our understanding of nuclear existence and paves the way for investigating the properties of neutron-rich medium-mass nuclei.

Shimizu, Yohei [RIKEN, Saitama (Japan); et al.]↗