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At least 235 records · Page 13

Molecular Simulation of Functionalized Covalent Organic Framework Membranes for Inorganic Salt Separation

Covalent organic frameworks (COFs) enable molecular-level design of nanochannels for selective separation in pressure-driven membrane processes. Through variation of building blocks and, subsequently, the pore structure and chemistry, membrane performance can be tailored. This study employs nonequilibrium molecular dynamics simulations to theoretically demonstrate the tunable selectivity of COF membranes through a bottom-up functionalization approach. Water and salt transport are evaluated for six β-ketoenamine-linked COFs with varying multilayer thicknesses. For the thinnest multilayer (0.64–0.72 nm), all COFs exhibit low sodium sulfate (Na 2 SO 4 ) rejection (55–66%). However, 20 stacked sheets (6.4–7.2 nm) provide 67–98% rejection, with the sulfonated COF providing the highest Na 2 SO 4 rejection. Analysis of time-resolved ion density profiles reveals that solute rejection is primarily governed by interfacial exclusion arising from pore size and functional group chemistry. Although increasing salt rejection compromises water permeance, the permeance of all COF membranes is at least two orders of magnitude greater than that of a commercially available nanofiltration membrane. Overall, this work guides the rational design of COF membranes for aqueous salt separation.

Nanofiltration↗

Smart Ventilation Controls for Occupancy and Auxiliary Fan Use Across U.S. Climates

Smart Ventilation has been developed as a way to reduce the energy associated with ventilation by changing when ventilation happens and how much ventilation occurs at any given time. In high performance buildings with low envelope and appliance related loads, ventilation is becoming a bigger part of the total building energy use and needs to be addressed if performance targets are to be met. This work explores the development and performance of smart ventilation controls based on occupancy and auxiliary fan operation that provide annual dwelling unit ventilation equivalence to ASHRAE Standard 62.2-2016. A prototype high performance home compliant with U.S. DOE Building America Zero Energy Ready program requirements was simulated using the REGCAP tool with and without smart controls across 15 U.S. DOE climate zones. Balanced and unbalanced IAQ fans were independently simulated, and all smart controlled fans had airflows double the reference 62.2-2016 airflow. Three idealized occupancy patterns were examined: 1st shift (a typical daily work/school absence), an extended 1st shift with more time spent out of the home evenings and weekends and 3rd shift (night work). The Occupancy controller turns the IAQ fan off during unoccupied periods, and it resumes ventilation upon their return. While unoccupied, contaminants are allowed to accumulate in the space, because occupants are not exposed to these contaminants. When occupants return home, they are exposed to these higher contaminant concentrations, and the controller increases the ventilation rate sufficiently to ensure equivalence with a continuous IAQ fan. Accounting for pollutant emissions that occur during unoccupied periods (as required by ASHRAE 62.2-2016), sharply distinguishes our occupancy controls from past Demand Controlled Ventilation systems. This new accounting method results in equivalent contaminant exposure, as well as lower reductions in average ventilation rates and lower energy savings. Smart controls were demonstrated that saved HVAC energy (i.e., avoided heating/cooling load, as well as fan energy)—averaging between 6 and 46% of ventilation-related energy use depending on the control strategy and occupancy pattern assumptions. The greatest savings were in the combined Auxiliary Fan + Occupancy control. Energy savings increased with climate heating demand and longer unoccupied time periods. The 3rd shift occupancy pattern had better performance, due to the thermal benefit of reducing the ventilation rate during the cold nighttime hours. This same effect provided a cooling energy benefit in hotter locations for the 1st shift. Overall, savings from occupancy-based smart controls were low, because of the recovery period required after occupants return home, during which the airflow is double the 62.2 reference. This recovery is required to maintain equivalence with the ASHRAE standard. Occupancy-based control performance was improved when combined with sensing auxiliary fans and when providing a pre-occupancy flush out of one- or two-hours. Performance was similarly improved if the ASHRAE Standard were to recognize that pollutant emissions are lower during unoccupied periods, iii allowing a lower target ventilation rate during unoccupied periods (not currently in the standard) (see Full vs. Half AEQ in this report). Finally, over-sized unbalanced fans that are cycled on-and-off by a smart controller (or timer) were found to substantially increase annual average air exchange and energy use relative to a continuous unbalanced fan due to the effects of superposition with natural infiltration.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

A practical control strategy for demand flexibility with ensured occupant comfort in grid-interactive efficient buildings

This study proposes a practical and simplified demand response (DR) control strategy from the perspective of grid-interactive efficient buildings (GEBs), aiming to secure demand flexibility while ensuring occupant thermal comfort. Focusing on summer on-peak periods, a linear demand response (LDR) strategy that integrates cooling setpoint adjustment and lighting dimming was designed, and its performance was quantitatively evaluated. A case study was conducted using EnergyPlus-based simulations for a U.S. DOE small office prototype building under summer on-peak weather conditions. Compared with a conventional rapid demand response (RDR) strategy, the proposed LDR approach gradually reduced electrical loads while maintaining occupant thermal comfort indices, including predicted mean vote (PMV) and predicted percentage of dissatisfied (PPD), within acceptable comfort ranges. Quantitative analysis of demand flexibility using the grid-interactive impact index (GII) and the flexibility strength index (FSI) showed that the LDR strategy provided approximately 12.5% demand flexibility during DR periods and achieved an electricity cost reduction of about 8.8%. In addition, the results of the part-load ratio (PLR)-based cooling system performance analysis showed that, in the on-peak period, the LDR strategy exhibited improved cooling performance compared with the baseline. Overall, this study shows the potential of a practical DR control strategy that can simultaneously achieve occupant comfort and demand flexibility without relying on complex advanced control technologies.

Jung, Dong Eun↗

Computer Simulation For Design Of TWT's

A three-dimensional finite-element analytical technique facilitates design and fabrication of traveling-wave-tube (TWT) slow-wave structures. Used to perform thermal and mechanical analyses of TWT designed with variety of configurations, geometries, and materials. Using three-dimensional computer analysis, designer able to simulate building and testing of TWT, with consequent substantial saving of time and money. Technique enables detailed look into operation of traveling-wave tubes to help improve performance for future communications systems.

Bartos, Karen F.↗

ResStock™ v3.2.0 [SWR-19-15 and SWR-20-07]

The ResStock™ analysis tool was built on NREL's OpenStudio® platform, and is a project geared at modeling existing residential building stocks at national, regional, or local scales with a high-degree of granularity (e.g., one physics-based simulation model for every 200 dwelling units), using the EnergyPlus® simulation engine. Information about ComStock™, a sister tool for modeling the commercial building stock, can be found here: https://www.nrel.gov/buildings/comstock.html This repository contains: Housing characteristics of the U.S. residential building stock, in the form of conditional probability distributions stored as tab-separated value (.tsv) files. Comments at the bottom of each file document data sources and assumptions for each. A library of housing characteristic "options" that translate high-level characteristic parameters into arguments for OpenStudio measures, and which are referenced by the housing characteristic .tsv files and building energy upgrades defined in project definition files Project definition files: v2.3.0 and later: buildstockbatch YML files openable in any text editor v2.2.5 and prior: Project folder openable in PAT Unit-level OpenStudio Measures for automatically constructing OpenStudio Models of each representative dwelling unit model: v3.0.0 and later: OpenStudio-HPXML Measures v2.5.0 and prior: OpenStudio Measures Higher-level OpenStudio Measures for controlling simulation inputs and outputs This repository does not contain software for running ResStock simulations, which can be found as follows: Versions 2.3.0 and later only support the use of buildstockbatch for deploying simulations on high-performance or cloud computing. Version 2.3.0 also removed separate projects for single-family detached and multifamily buildings, in lieu of a combined project_national representing the U.S. residential building stock. See the changelog for more details. Versions 2.2.5 and prior support the use of the publicly available OpenStudio-PAT software as an interface for deploying simulations on cloud computing. Read the documentation for v2.2.5.

Horowitz, Scott↗

SciDAC ISEP: Integrated Simulation of Energetic Particles in Burning Plasmas

The objective of the SciDAC Center for Integrated Simulation of Energetic Particles in Burning Plasmas (ISEP) is to improve physics understanding of energetic particle (EP) confinement and EP interactions with burning thermal plasmas through large-scale simulations. The ISEP center will develop a multiscale and multiphysics ISEP framework for a predictive capability of EP physics and deliver an EP module incorporating both first-principles simulations and high fidelity reduced transport models to the fusion whole device modeling (WDM) project. The ISEP framework will enable us to perform long time, global kinetic simulations of EP physics in burning plasmas, by utilizing the full power of the next generation supercomputers. Our research and development activities will build on fruitful collaborations with computer scientists and applied mathematicians to offer enabling technologies for performance scalability, portability, solvers, coupling for integration with the fusion WDM project, and long-term preservation of data.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Modeling and Evaluation of Cyber-Attacks on Grid-Interactive Efficient Buildings

Grid-interactive efficient buildings (GEBs) are not only exposed to passive threats (e.g., physical faults) but also active threats such as cyber-attacks launched on the network-based control systems. The impact of cyber-attacks on GEB operation are not yet fully understood, especially as regards the performance of grid services. To quantify the consequences of cyber-attacks on GEBs, this paper proposes a modeling and simulation framework that includes different cyber-attack models and key performance indexes to quantify the performance of GEB operation under cyber-attacks. The framework is numerically demonstrated to model and evaluate cyber-attacks such as data intrusion attacks and Denial-of-Service attacks on a typical medium-sized office building that uses the BACnet/IP protocol for communication networks. Simulation results show that, while different types of attacks could compromise the building systems to different extents, attacks via the remote control of a chiller yield the most significant consequences on a building system’s operation, including both the building service and the grid service. It is also noted that a cyber-attack impacts the building systems during the attack period as well as the post-attack period, which suggests that both periods should be considered to fully evaluate the consequences of a cyber-attack.

Fu, Yanyang↗

Evaluating indoor thermal resilience of passive and low-power cooling shelters for outdoor workers in India

India’s 231 million outdoor workers are exposed to deadly heat during heat waves. We report results from a simulation-based study that focuses on passive design of cooling shelters for the hot and dry climate zone of India. The goal is to design a cooler-than-outdoor shelter for outdoor workers’ intermittent rest and recovery from heat stress during their arduous outdoor work, to avoid heat-related morbidities and mortality. Expected indoor thermal conditions in low-cost cooling shelters deploying a range of passive designs and low-power active measures are investigated, consistent with the current Indian standards and practices, located in the city of Jodhpur in western India. Heat resilience of the shelter was measured with the predicted reduction of hazardous hours inside the shelter based on the wet-bulb globe temperature (WBGT) and extended heat index. These measures include improving the building envelope, installing cool roofs, using internal thermal mass, and natural ventilation. Additionally, a low-power active measure of using ventilation fans and ceiling fans is explored. EnergyPlus-based simulation results show that simple, commonly available measures, particularly natural ventilation and ceiling fans, achieve the most significant reductions in overheating danger hours, by 22% and 21%, respectively, while more complex or costly passive strategies yield only marginal additional benefits. Moreover, combined measure packages are identified that can reduce the indoor WBGT by 8 to 10 °C, eliminating overheating danger hours. These findings highlight the critical importance of scalable, low-cost, and easily deployable cooling solutions for developing resilient cooling shelters for vulnerable outdoor workers during heat waves in India.

building performance↗

Addressing the Real-World Challenges in the Development of Propulsion IVHM Technology Experiment (PITEX)

The Propulsion IVHM Technology Experiment (PITEX) has been an on-going research effort conducted over several years. PITEX has developed and applied a model-based diagnostic system for the main propulsion system of the X-34 reusable launch vehicle, a space-launch technology demonstrator. The application was simulation-based using detailed models of the propulsion subsystem to generate nominal and failure scenarios during captive carry, which is the most safety-critical portion of the X-34 flight. Since no system-level testing of the X-34 Main Propulsion System (MPS) was performed, these simulated data were used to verify and validate the software system. Advanced diagnostic and signal processing algorithms were developed and tested in real-time on flight-like hardware. In an attempt to expose potential performance problems, these PITEX algorithms were subject to numerous real-world effects in the simulated data including noise, sensor resolution, command/valve talkback information, and nominal build variations. The current research has demonstrated the potential benefits of model-based diagnostics, defined the performance metrics required to evaluate the diagnostic system, and studied the impact of real-world challenges encountered when monitoring propulsion subsystems.

Maul, William A.↗

Simulations of short-term exposure to NO 2 and PM 2.5 to inform capture efficiency standards

The California building code requires all new or renovated residential dwelling units to have kitchen exhaust ventilation to manage air pollutants and moisture generated during cooking. Current performance requirements are specified as a minimum airflow and maximum sound level. This report presents an analysis to support consideration of adding a capture efficiency requirement to the code. The analysis uses a physics-based simulation model to calculate air pollutant concentrations in homes that result from cooking and the inflow of outdoor air, mediated by loss and removal process including deposition, dwelling unit ventilation, and the use of a range hood with varying levels of capture efficiency. Calculated pollutant concentrations are compared to relevant, health-based guidelines. The analysis considers the highest 1-hour concentration of nitrogen dioxide (NO 2 ), which is a product of natural gas combustion and the highest 24-hour concentrations of fine particulate matter (PM 2.5 ) which is emitted in substantial quantities from frying, broiling and grilling among other cooking activities. For NO 2 , the analysis considers cooking of a dinner for 3-4 persons consisting of pasta, meat sauce, a par-boiled vegetable, and baked garlic bread. For PM 2.5 , the analysis considers a day in which breakfast emitted particles at the 80th percentile and lunch and dinner entailed particle emissions at the 50th percentile of cooking emission events reported in the literature. Model simulations were performed to determine the level of range hood capture efficiency that will allow these cooking scenarios to occur in the vast majority (>99%) of new homes being built in California while maintaining pollutant concentrations below the health-based guidelines, if the range hood is used throughout cooking. All homes were assumed to have dwelling unit ventilation at the rate required in the building code. Simulation model input parameters were specified using a Monte Carlo approach to represent a range of housing characteristics, outdoor conditions, and indoor pollutant dynamics. Simulation results suggest that requiring a minimum capture efficiency of at least 70% is needed to avoid unacceptably high NO 2 (1-h average concentration of 100 ppb or higher) and at least 60% to avoid unacceptably high PM 2.5 (24-h average of 25 μg/m³ or higher). These results were driven by multi-family homes, which have a smaller volume of air to dilute any pollutants not captured and removed at the cooking area, resulting in higher concentrations.

54 ENVIRONMENTAL SCIENCES↗

Super-Large-Scale Hierarchically Porous Films Based on Self-Assembled Eye-Like Air Pores for High-Performance Daytime Radiative Cooling

Metal-free polymer daytime radiative cooling coatings with hierarchical eye-like air pores are proposed and fabricated with a super-large-scale film-stretching method. The hierarchically porous film (HPF) can be further coated with polymethyl methacrylate (PMMA) micro-hemispheres, forming coated HPF (cHPF), which do not dramatically change the optical or thermal properties. The cHPF is slightly better with a lower solar absorptivity (2.4%) and a higher thermal emissivity over the atmospheric transparency window (90.1%). The low solar absorptivity is due to the strong scattering of the hierarchical eye-like air pores, while the molecular vibrations and the focusing effect of the PMMA micro-hemispheres contribute to the high emissivity. Further, an average mid-day temperature reduction of 7.92 °C is achieved relative to the air temperature, and the average cooling power reaches 116.0 W m -2 , which are much better than the cooling performances of the commercial cooling cushion. During the day, the cHPF-covered simulated building is up to 6.47 and 4.84 °C cooler than the ambient and the white painted counterpart, respectively. The film is durable and resistant to chemical etching, and very promising to use globally, especially in warm and tropical regions.

36 MATERIALS SCIENCE↗

Biases to primordial non-Gaussianity measurements from CMB secondary anisotropies

ABSTRACT Our view of the last-scattering surface in the cosmic microwave background (CMB) is obscured by secondary anisotropies, sourced by scattering, extragalactic emission, and gravitational processes between recombination and observation. Whilst it is established that non-Gaussianity from the correlation between the integrated-Sachs–Wolfe (ISW) effect and gravitational lensing can significantly bias primordial non-Gaussianity (PNG) searches, recent work by Hill suggests that other combinations of secondary anisotropies can also produce significant biases. Building on that work, we use the WebSky and Sehgal et al. simulations to perform an extensive examination of possible biases to PNG measurements for the local, equilateral and orthogonal shapes. For a Planck-like CMB experiment, without foreground cleaning, we find significant biases from cosmic infrared background (CIB)-lensing and thermal Sunyaev–Zel’dovich (tSZ)-lensing bispectra for the local and orthogonal templates, and from CIB and tSZ bispectra for the equilateral template. For future experiments, such as the Simons Observatory, biases from correlations between the ISW effect and the tSZ and CIB will also become important. Finally, we investigate the effectiveness of foreground-cleaning techniques to suppress these biases. We find that the majority of these biases are effectively suppressed by the internal-linear combination method with a total bias below the $1\, \sigma$ statistical error for both experiments. However, the small total bias arises from the cancellation of several $1\, \sigma$ biases for Planck-like experiments and $2\, \sigma$ biases for SO-like. As this cancellation is likely sensitive to the modelling, to ensure robustness against these biases, we recommend that explicit removal methods should be used.

Astronomy & Astrophysics↗

IAPSA 2 small-scale system specification

The details of a hardware implementation of a representative small scale flight critical system is described using Advanced Information Processing System (AIPS) building block components and simulated sensor/actuator interfaces. The system was used to study application performance and reliability issues during both normal and faulted operation.

Cohen, Gerald C.↗

Wall-Modeled LES of a Swept Wing with Leading-Edge Ice Using LAVA Curvilinear, Unstructured, and Cartesian Solvers

Wall-modeled large-eddy simulation (LES) of a swept wing with leading-edge ice build up is performed using three mesh paradigms and associated flow solvers and compared to experimental results. The study focuses on an 8.9% scale model of the CRM65 swept wing featuring both high-fidelity and smooth leading-edge ice shapes. The assessment is conducted using the Launch, Ascent, and Vehicle Aerodynamics (LAVA) framework using the three actively supported meshing paradigms in LAVA: structured curvilinear overset, unstructured, andCartesian. For the iced configurations, these paradigms use hybrid body-fitted/source-term immersed-boundary, body-fitted, and ghost-cell immersed-boundary strategies, respectively.The unstructured and Cartesian mesh paradigms are particularly attractive for complex ice shapes as they avoid the manual mesh generation effort associated with the curvilinear approach. For the high-fidelity ice shape, good agreement with the experiment can be obtained with all three strategies; however, the curvilinear method is particularly sensitive to the source-term immersed-boundary timescale and span wise mesh resolution, and the Cartesian implementation is sensitive to the choice of numerical flux. For the smooth ice, larger discrepancies are observed across all methods. However, a mesh refinement study guided by flow visualizations leads to an improved comparison with the experiment that is particularly pronounced for the unstructured mesh paradigm.

TTT↗

Cold Climate Integrated Heat Pump with Energy Storage for Grid-Responsive Control

An air-source integrated heat pump (ASIHP) is a multifunctional unit, capable of space cooling, space heating, and water heating. We developed a packaged cold climate ASIHP, using a multi-stage compressor, capable of working down to -25°C, and providing 100% rated capacity down to -15°C with a heating COP > 2.2. An innovative system configuration and related controls were developed to solve charge balance in the integrated heat pump, smooth charge migration, and mode transition among multiple working modes. Extensive laboratory investigations for individual modes were performed to verify the performance. Its integrated heating capability provides speedy water heating to meet domestic hot water use and store heating energy in a phase change material ceiling/panel. The heating energy storage can be used to shift the load when the electricity price is high. Based on the performance data and a calibrated model from the laboratory testing, we conducted building energy simulations driven by a model predictive control, using EnergyPlus in one U.S. cold climate zone to investigate the grid-responsive control strategy and estimate the utility cost reduction potential.

Shen, Bo↗

The DaveMLTranslator: An Interface for DAVE-ML Aerodynamic Models

It can take weeks or months to incorporate a new aerodynamic model into a vehicle simulation and validate the performance of the model. The Dynamic Aerospace Vehicle Exchange Markup Language (DAVE-ML) has been proposed as a means to reduce the time required to accomplish this task by defining a standard format for typical components of a flight dynamic model. The purpose of this paper is to describe an object-oriented C++ implementation of a class that interfaces a vehicle subsystem model specified in DAVE-ML and a vehicle simulation. Using the DaveMLTranslator class, aerodynamic or other subsystem models can be automatically imported and verified at run-time, significantly reducing the elapsed time between receipt of a DAVE-ML model and its integration into a simulation environment. The translator performs variable initializations, data table lookups, and mathematical calculations for the aerodynamic build-up, and executes any embedded static check-cases for verification. The implementation is efficient, enabling real-time execution. Simple interface code for the model inputs and outputs is the only requirement to integrate the DaveMLTranslator as a vehicle aerodynamic model. The translator makes use of existing table-lookup utilities from the Langley Standard Real-Time Simulation in C++ (LaSRS++). The design and operation of the translator class is described and comparisons with existing, conventional, C++ aerodynamic models of the same vehicle are given.

Hill, Melissa A.↗

Towards Learning-Based Architectures for Sensor Impact Evaluation in Building Controls

Advanced control algorithms for building systems are known to have significant potential in reducing energy consumption while optimizing thermal comfort. The success of such algorithms is critically contingent on several different types of sensor systems, which are in turn, used for continuous monitoring, identification and estimation of several important building states, such as temperatures, humidity, air quality, power consumption and occupancy status. Nonidealities in any of these sensors can lead to significant performance degradation of the control functionalities, and may lead to unwanted sub-optimal building operation. In this paper, we provide a simulation example with a high-fidelity building model, for a particular use-case of advanced optimization-based control in buildings, i.e., occupancy-based controls. We show how imperfections in occupancy sensing can offset performance. Subsequently, we discuss a novel learning-based architecture to efficiently evaluate the impact of sensor nonidealities for building systems, in context of advanced control algorithms.

Bhattacharya, Saptarshi↗

Quantifying and Optimizing the Energy Benefits of Mass Timber Construction

The International Mass Timber Alliance (IMTA) is a global organization of industry leaders, engineers, scientists, and associations dedicated to advancing mass timber construction. Its mission is to generate and disseminate scientific data supporting the development of standardized construction and energy efficient practices that promote the adoption of mass timber worldwide. IMTA collaborated with Oak Ridge National Laboratory (ORNL) to leverage ORNL’s expertise in building envelope modeling and testing to evaluate how mass timber construction can reduce peak heating and cooling demand, lower overall energy use, and improve resilience during power outages. A previous study of 80 mass timber buildings in Finland found measured energy use up to 50% lower than predicted by simulation. This project aimed to validate and extend those findings for U.S. buildings through analytical modeling, laboratory testing, and full-scale building evaluations. The research focused on the thermal performance of low-embodied-energy wall assemblies, such as cross-laminated timber (CLT) panels and log walls, with particular attention to the effects of thermal inertia on indoor comfort and energy performance. While mass timber’s structural and fire-resistance properties are well documented, its whole-building thermal behavior has received limited attention. Field data, simulation results, and resilience testing from this study will inform future modeling practices, design guidelines, and construction practices by quantifying the unique thermal and demand-flexibility benefits of mass timber construction.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗