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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 937 records · Page 52
All sourcesNASA NTRSDOE OSTI
NASA NTRS2000

Construction and Utilization of a Beowulf Computing Cluster: A User's Perspective

Lockheed Martin Space Operations - Stennis Programs (LMSO) at the John C Stennis Space Center (NASA/SSC) has designed and built a Beowulf computer cluster which is owned by NASA/SSC and operated by LMSO. The design and construction of the cluster are detailed in this paper. The cluster is currently used for Computational Fluid Dynamics (CFD) simulations. The CFD codes in use and their applications are discussed. Examples of some of the work are also presented. Performance benchmark studies have been conducted for the CFD codes being run on the cluster. The results of two of the studies are presented and discussed. The cluster is not currently being utilized to its full potential; therefore, plans are underway to add more capabilities. These include the addition of structural, thermal, fluid, and acoustic Finite Element Analysis codes as well as real-time data acquisition and processing during test operations at NASA/SSC. These plans are discussed as well.

Woods, Judy L.↗
DOE OSTI2021

Responses of Boreal Forest Ecosystems and Permafrost to Climate Change and Disturbances: A Modeling Perspective

The north circumpolar region contains a large amount of carbon. This carbon storage is vulnerable due to permafrost degradation and wildfire disturbances under ongoing and projected climate change. Climate warming and wildfires change soil organic horizons gradually or abruptly, and modify permafrost thermal-hydrology and biogeochemistry, ecosystem structures, functions, and capability of sequestrating rising atmospheric CO2. Land models do not fully take accounts of these interactions and its complexity in the high latitude. This chapter describes a terrestrial ecosystem model with dynamic organic soil module (DOS-TEM) and its unique freezing-thawing algorithm, and presents key results of its applications mainly in boreal forests of Alaska. The DOS-TEM explicitly considers interactions of soil thermal and hydrological processes, permafrost degradation and the direct and indirect effects of wildfire disturbances, in addition to soil–plant C and N cycles. We first introduce four modules of DOS-TEM, focusing on its disturbance module and coupling with a dynamic organic soil module. Then we describe and validate DOS-TEM’s freezing-thawing algorithm and development based on two-directional Stefan algorithm (TDSA). Finally, we apply the DOS-TEM at site and region scales, with a focus on model ability to dynamically simulate soil organic thickness under warming and wildfires, and consequent impacts on permafrost in the Yukon River Basin. We conclude that land surface model development is urgently needed to include other critical landscape processes, such as thermalkarst and other disturbances, to synchronize thermal-hydrological-biogeochemical processes, and to incorporate an advanced understanding of biospheric feedbacks to atmosphere and ecosystems. Such a complexity of modeling scope is plausible with advancement of high performance computing.

Yi, Shuhua↗
NASA NTRS2014

Spectroscopic Measurement Techniques for Aerospace Flows

The conditions that characterize aerospace flows are so varied, that a single diagnostic technique is not sufficient for its measurement. Fluid dynamists use knowledge of similarity to help categorize and focus on different flow conditions. For example, the Reynolds number represents the ratio of inertial to viscous forces in a flow. When the velocity scales, length scales, and gas density are large and the magnitude of the molecular viscosity is low, the Reynolds number becomes large. This corresponds to large scale vehicles (e.g Airbus A380), fast moving objects (e.g. artillery projectiles), vehicles in dense fluids (e.g. submarine in water), or flows with low dynamic viscosity (e.g. skydiver in air). In each of these cases, the inertial forces dominate viscous forces, and unsteady turbulent fluctuations in the flow variables are observed. In contrast, flows with small length scales (e.g. dispersion of micro-particles in a solid rocket nozzle), slow moving objects (e.g. micro aerial vehicles), flows with low density gases (e.g. atmospheric re-entry), or fluids with a large magnitude of viscosity (e.g. engine coolant flow), all have low Reynolds numbers. In these cases, viscous forces become very important and often the flows can be steady and laminar. The Mach number, which is the ratio of the velocity to the speed of sound in the medium, also helps to differentiate types of flows. At very low Mach numbers, acoustic waves travel much faster than the object, and the flow can be assumed to be incompressible (e.g. Cessna 172 aircraft). As the object speed approaches the speed of sound, the gas density can become variable (e.g. flow over wing of Learjet 85). When the object speed is higher than the speed of sound (Ma > 1), the presences of shock waves and other gas dynamic features can become important to the vehicle performance (e.g. SR-71 Blackbird). In the hypersonic flow regime (Ma > 5), large changes in temperature begin to affect flow properties, causing real-gas effects to occur (e.g. X-43 Scramjet). At even higher Mach numbers, chemistry and nonequilibrium effects come into play (e.g. Startdust re-entry capsule), further complicating the measurement. These limits can be predicted by calculating the ratio of chemical and thermal relaxation time to the flow time scales. Other non-dimensional numbers can be used to further differentiate types of aerospace flows.

Danehy, Paul M.↗
DOE OSTI2025

Phase-field modeling and experiments of dynamic fracture in single crystal quartz

Predicting the onset and characteristics of brittle fracture is important for a wide range of engineering and geological material applications. In this paper, we study important aspects of brittle fracture in α-quartz by phase-field modeling and experiments using a top-down approach. In the modeling framework, the work term in the Griffith energy balance is replaced with internal energy contributions that represent surface energy, thermal energy, and elastic strain energy stored in defects. This allows parametrization of individual energy contributions in terms of internal state variables and keeps track of energy partitioning after the onset of fracture. The path and history dependence of fracture is included in evolution laws for internal state variables, e.g., entropy evolution, while the energy remains a true potential. In the experimental part, dynamic compression experiments coupled with X-ray phase contrast imaging are performed on cube-like samples with a hole. In the top-down analysis, dynamic compression and three point bending experiments from the literature are simulated with the developed phase-field damage model. In conclusion, the fitted model highlights the strain rate, size, and stress state dependence of damage nucleation and evolution in single crystal α-quartz.

36 MATERIALS SCIENCE↗
DOE OSTI2020

High-Pressure Equation of State of 1,3,5-triamino-2,4,6-trinitrobenzene: Insights into the Monoclinic Phase Transition, Hydrogen Bonding, and Anharmonicity

The high-pressure equation of state (EOS) of energetic materials (EMs) is important for continuum and mesoscale models of detonation performance and initiation safety. Additionally, obtaining a high-fidelity EOS of the insensitive EM 1,3,5-triamino-2,4,6-trinitrobenzene (TATB) has proven to be difficult because of challenges in experimental characterization at high pressures (HPs). In this work, powder X-ray diffraction patterns were fitted using the recently discovered monoclinic I2/a phase above 4 GPa, which shows that TATB is less compressible than when indexed with the triclinic $P\bar{1}$ phase. First-principles calculations were performed with Perdew–Burke–Ernzerhof (PBE) and PBE0 functionals including thermal effects using the $P\bar{1}$ phase. PBE0 improves the description of hydrogen bonding and thus predicts accurate planar a and b lattice parameters under ambient conditions. However, discrepancies in the predicted lattice parameters above 4–10 GPa compared with experimental measurements indexed with $P\bar{1}$ are further evidence of a structural modification at high pressure. Layer sliding defects are formed during molecular dynamics simulations, which induces an anharmonic effect on the thermal expansion of the c lattice parameter. In short, the results provide several insights into determining high-fidelity EOS parameters for TATB and other molecular crystals.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2021

3-D Prismatic Packaging Methodologies for Wide Band Gap Power Electronics Modules

In a power module the parasitic inductance limits the dynamic high-frequency performance, and the area of the cooling surfaces limits the power capability. This paper presents a new 3D power electronic design methodology based on the concept of mutual inductance cancellation and multi-sided heat transfer. New 3D prismatic packaging concepts are proposed for Wide Band Gap (WBG) power devices, where the devices can be mounted at acute angles to adjacent interconnects or other devices. Discussion is given on electrical and thermal path optimization in a 3D space. To validate the 3D prismatic packaging methodology, a 1200V/50A SiC half-bridge power module is fabricated and tested for electrical and thermal performance and results are compared with simulations. The power density calculated for the module is 12 kW/in3 (including heatsink) and shows a 31.3% inductance reduction compared to a 2D planar module. Finally, design guidance suggested for utilizing prismatic structures is provided, together with suggested future work in the area. This paper presents the first reported true 3D power module.

24 POWER TRANSMISSION AND DISTRIBUTION↗
NASA NTRS1970

Discrete control of linear distributed systems with application to the deformable primary mirror of a large orbiting telescope

One of the more significant technological problems associated with the orbital operation of large astronomical telescope's is the fabrication and maintenance of the primary mirror surface to the tolerance required for diffraction-limited performance. An interesting approach to the solution of this problem involves continuously measuring and automatically correcting the optical surface of a thin deformable mirror by means of discrete actuators located on its rear surface: The realization of diffraction-limited performance from a telescope in space by this method rests on the ability of the designer to achieve extremely accurate control of a highly complex, interacting, multivariable system. This paper presents the results of a detailed study of the discrete control of linear distributed systems with specific application to the design of a practical controller for a plant representative of a telescope primary mirror for an orbiting astronomical observatory. The problem of controlling the distributed plant is treated by employing modal techniques to represent variations in the optical figure. Distortion of the mirror surface, which arises primarily from thermal gradients, is countered by actuators working against a backing structure to apply a corrective force distribution to the controlled surface. Each displacement actuator is in series with a spring attached to the mirror by means of a pad intentionally introduced to restrict the excitation of high-order modes. Control is then exerted over a finite number (equal.to the number of actuators) of the most significant modes. Through the application of the modal expansion technique the mirror equation of motion is transformed tb a set of uncoupled, linear, time-invariant, ordinary differential equations. The desired dynamic response and static accuracy may then be achieved by the application of classical single-variable design techniques. The formulation of a quadratic performance index which incorporates a measure of image quality permits determination of the trade-off between the-number of actuators and optical purity. A criterion for defining actuator placement and pad size is presented which minimizes the tendency of the controller to excite the unmonitored modes.

Jeremiah F Creedon↗
DOE OSTI2026

Optimization of Annealing for WZ-Phase Removal and Densification in Sb-Doped CdSexTe1-x Solar Cells

The impact of high temperature annealing (HTA) treatments on the performance of Sb-doped CdSeTe solar cells containing a CdSe0.25Te0.75/CdTe front stack and a vapor transport (VT) deposited CdTe:Sb absorber was studied. The HTA treatment of the thermally evaporated CdSe0.25Te0.75/CdTe front stack converts the mixed-phase film into a single zinc blende structure through recrystallization of the photo-inactive wurtzite phase. Subsequently, HTA treatment of the full device stack after vapor transport deposition of CdTe:Sb absorber promotes Se-Te intermixing, reduces voids, densifies the full stack and enhances CdTe:Sb grain growth. Comprehensive characterizations revealed that the combined HTA treatments significantly improved film crystallinity, removed the WZ phase in the front stack, enhanced full-stack densification, reduced defect densities, and enhanced carrier dynamics. With HTA treatments, the open-circuit voltage (VOC) of CdSeTe:Sb devices increased from ~ 400 mV to >= 600 mV, and when combined with optimized CdCl2 treatment, VOC reached 849 mV. The net carrier concentrations (NA-ND) of representative devices were NA-ND = 1.5 x 10^15, 1.1 x 10^15, and 3.5 x 10^14 cm-3 for the no-HTA, moderate-HTA, and optimized high-VOC conditions, respectively. Since the highest VOC corresponds to the lowest apparent NA-ND, , which is similar to a Cu-doped-only CdSeTe solar cell (NA-ND ~= 2 x 10^14 cm-3), the data indicate that improved device performance does not result from increased electrically active Sb; instead, it points to structural improvement as the dominant effect of HTA. The findings demonstrate the potential of HTA treatments to improve the structural and electrical properties of CdSeXTe1-X solar cells.

14 SOLAR ENERGY↗
DOE OSTI2026

Covalent adaptable networks for electrolyte–binder integration in recyclable lithium metal batteries

Lithium-metal batteries (LMBs) are considered a promising next-generation energy storage technology due to their exceptionally high energy density. However, the development of solid polymer electrolytes and cathode binders for LMBs faces critical challenges, including interfacial instability, poor recyclability, and growing environmental concerns. In particular, current systems often rely on non-recyclable components featuring permanently crosslinked networks and polyfluoroalkyl substances (PFAS), such as poly(vinylidene fluoride) (PVDF), which cause battery waste and environmental harm. Herein, we introduce a multifunctional covalent adaptable network (CAN) platform based on thermally reversible Diels–Alder (DA) chemistry, designed for dual functionality as a CAN-based electrolyte (CAE) and a CAN-based cathode binder. The CAE achieves high ionic conductivity and strong storage modulus (1.4 mS cm −1 and ∼ 10 5 Pa at room temperature, respectively) and enables stable long-term cycling in symmetric Li||Li cells for over 2000 h with low overpotential. When it is applied as a cathode binder in LiFePO 4 (LFP) composite electrodes (C-LFP), the CAN matrix significantly reduces interfacial resistance and enhances discharge capacity compared to conventional PVDF-based systems. Thermal treatment induces self-healing at the cathode–electrolyte interface, further improving contact and yielding a discharge capacity of 150 mAh g −1 at 0.5 C. Moreover, the dynamic CAN architecture allows efficient recovery and reuse of lithium salts from spent electrolytes through retro-DA reactions under mild conditions (∼80 °C), establishing a low-energy, cost-effective recycling pathway. In conclusion, this work presents a scalable and sustainable strategy for high-performance LMBs by integrating recyclability, interfacial healing, and PFAS-free design, offering a holistic solution aligned with circular economy principles and next-generation battery demands.

Diels–Alder↗
DOE OSTI2021

What are the Impacts on the HVAC System when it Provides Frequency Regulation? – A Comprehensive Case Study with a Multi-Zone Variable Air Volume (VAV) System

Heating, ventilation, and air-conditioning (HVAC) systems in commercial buildings have proven to be a great asset for providing secondary frequency regulation (FR) service to the power grid. However, how the provision of FR service affects the HVAC system Quality of Service (QOS) is still largely unknown. In particular, there exists a controversy regarding the energy efficiency impact. This paper investigates how a HVAC system performance and its associated controls are impacted during and after the FR service. For the assessment, we developed a dynamic Modelica-based medium office building model as a virtual testbed with the Air Handling Unit (AHU) fans providing the FR service. Different regulation capacities (demand levels) and standard test signals under various load profiles in the U.S. are considered. The results show that FR has little or no impact on the HVAC operation and occupant thermal comfort while the building is providing the service if an appropriate regulation capacity is pre-determined. However, if the regulation capacity is overestimated, the quality of the FR service provided by the HVAC system and the HVAC energy efficiency will be affected due to the equipment operating constraints. In addition, the AHU supply air temperature fluctuates, and the controller cannot maintain the desired setpoint as the FR magnitude is increased. After the FR service time, the system takes a certain period to return to normal operation. The recovery period extends with the increase in the FR magnitude. For this case study, there exists a control conflict between the FR control and the existing HVAC control (from ASHRAE Guideline 36-2018) during high load conditions, causing the fan speed to saturate. The fan power consumption could increase significantly; up to 77% increase compared to the baseline was observed. This case study demonstrates that the HVAC system controls need to be enhanced and adapted to minimize the interaction between the FR controller and the indoor environmental controls in order to preserve the HVAC system QOS while (during and after) providing satisfactory FR service.

Lu, Xing↗
DOE OSTI2026

Advanced blade-shaped thermal energy storage device: Development and application

Thermal energy storage (TES) using phase change materials (PCMs) is a promising approach for capturing and reusing excess thermal energy, yet widespread adoption is limited by low thermal conductivity, bulky configurations, and inadequate scalability. Here, this study presents a modular, blade-shaped TES prototype designed to address these challenges. The device integrates a lightweight aluminum shell, an embedded serpentine coil for active or passive heat exchange, and a cost-effective corrugated metal mesh for enhanced PCM thermal conductivity. With thickness-to-length and thickness-to-width ratios of 0.03 and 0.08, respectively, the blade-shaped TES achieves a compact, modular form factor suitable for space-constrained applications. Experimental testing demonstrated the efficient charge and discharge behavior of blade-shaped TES, capturing PCM superheating, phase-change transitions, and subcooling dynamics, with charging and discharging efficiencies of 94.9% and 94.6%, respectively. Also, the system can potentially achieve higher energy density than that of conventional TES designs. When integrated into a household refrigerator during the study, three blade-shaped TES modules successfully shifted 100% of peak-time compressor operation to off-peak hours, reducing energy consumption while maintaining more stable compartment temperatures. The blade-shaped TES's thin geometry, modularity, and enhanced thermal performance support scalable deployment across residential, commercial, and industrial applications, providing a versatile, cost-effective solution for high-efficiency, demand-flexible thermal energy management.

Blade-shaped↗
DOE OSTI2022

Machine learning prediction on the fractional free volume of polymer membranes

Fractional free volume (FFV) characterizes the microstructural level features of polymers and affects their properties including thermal, mechanical, and separation performance. Experimental measurements and theoretical analyses have been used to quantify the FFV of polymers, but challenges remain because of their limitations. Experimental measurements are laborious and based on semi empirical equations, while Bondi’s group contribution theory involves ambiguities like the determination of van der Waals volume and the choice of factor values in the theoretical equation. To efficiently evaluate the FFV of polymers, this study utilizes high-throughput molecular dynamics (MD) simulations to build a large dataset regarding polymer’s FFV. Based on this large dataset, we further build machine learning (ML) models to establish the composition-structure relation. Inspired by group contribution theory which correlates polymer’s functional groups to FFV, our ML models correlate polymer’s substructures or physico-chemical indexes to FFV. Here, our study first benchmarks the MD simulation protocol to obtain reliable FFV of polymers and then carries out high-throughput MD simulations for more than 6,500 homopolymers and 1,400 polyamides. Such a large and diverse dataset makes the well-trained ML models more generalizable, compared with the group contribution theory. The efficiency of a feed forward neural network model is further demonstrated by applying it to a hypothetical polyimide dataset of more than 8 million chemical structures. The predicted FFVs of hypothetical polyimides are further validated by MD simulations. The obtained FFVs of the 8 million polymers, plus their previously reported gas separation performances, demonstrate the promising capability of ML virtual screening for the discovery of polymer membranes with exceptional permeability/selectivity.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Development of Conceptual Lead Cartridge Design to Perform Irradiation Experiments in VTR

This paper seeks to introduce the latest design of the Extended Length Test Assembly–Cartridge Lead (ELTA-CL) with associated thermal-hydraulic (TH) assessment and related experiment activities to support the critical component development performed by the ELTA-CL team (Los Alamos National Laboratory, Westinghouse Electric Company, and the University of New Mexico). The goal of the ELTA-CL program is to develop and validate an experimental capability to perform irradiation experiments in the Versatile Test Reactor (VTR) addressing Lead Fast Reactor (LFR) technology gaps, in support of the commercial development of advanced lead-cooled fast reactor concepts. Through a design maturation process and parametric study, a conceptual design is proposed to meet the requirements for material and corrosion testing. Thermal-hydraulic characteristics for the conceptual design at desired operating conditions are assessed with systems-level (one-dimensional) and computational fluid dynamics (three-dimensional) simulations. Along with the conceptual design work, experimental activities for the development of critical components such as the pump and flowmeter are undertaken. From both the modeling study and the experimental results, the design requirements of the Phase 1 ELTA-CL (e.g., 500°C and 2 m/s) are achievable with the current conceptual design. Additional design improvements and safety assessments at both steady-state and transient conditions for the final ELTA-CL design will be pursued.

42 ENGINEERING↗
DOE OSTI2020

Physical Sciences Vistas (Issue 3 2020)

In this issue, highlights of our outstanding R&D supporting the Laboratory’s nuclear security mission include the following. 1. The essential nuclear materials science contributions of MST’s Materials Properties Team to a range of Lab missions, operations, and initiatives. 2. Work in the Sigma Complex supporting NNSA’s Advanced Manufacturing Development milestones by members of Sigma Division and colleagues across the Laboratory and other NNSA sites. 3. Greg Dale’s role in the Lab’s molybdenum program and today as a technical lead on the Scorpius project. 4. Measurements that reveal the role thermal interfaces play in dynamic compression experiments. 5. The first-ever synthesis of an actinide framework, which offers opportunities for understanding these structures as potential radioactive waste forms and provides new models of actinide species transport in the environment. This issue also showcases, as part of our commitment to simultaneous excellence in mission operations and community relations, the successful high-hazard repair of the LANSCE accelerator, which resulted in a large team Laboratory Distinguished Performance Award, and a virtual Summer Physics Camp for Young Women that brought together participants from around the world, even as COVID kept them socially distant in their homes.

36 MATERIALS SCIENCE↗
NASA NTRS1977

Scale-covariant theory of gravitation and astrophysical applications

A scale-covariant theory of gravitation is presented which is characterized by a set of equations that are complete only after a choice of the scale function is made. Special attention is given to gauge conditions and units which allow gravitational phenomena to be described in atomic units. The generalized gravitational-field equations are derived by performing a direct scale transformation, by extending Riemannian geometry to Weyl geometry through the introduction of the notion of cotensors, and from a variation principle. Modified conservation laws are provided, a set of dynamical equations is obtained, and astrophysical consequences are considered. The theory is applied to examine certain homogeneous cosmological solutions, perihelion shifts, light deflections, secular variations of planetary orbital elements, stellar structure equations for a star in quasi-static equilibrium, and the past thermal history of earth. The possible relation of the scale-covariant theory to gauge field theories and their predictions of cosmological constants is discussed.

Canuto, V.↗
NASA NTRS1986

Ocean surface pressure fields from satellite-sensed winds

The University of Washington's planetary boundary layer model is inverted to use remotely sensed satellite scatterometer-derived surface winds as input to calculate maritime surface pressure fields. The analysis of three different synoptic storm situations is performed using the model and is then compared to conventional National Weather Service analyses. Agreement is good. Isolation of the PBL secondary flow, stratification and thermal wind effects in the model revealed that each may be significant under certain conditions. However, the model shows sensitivity to the thermodynamic features only in a general sense and even a neutral stratification solution gives a good approximation. The high density of the scatterometer data produces mesoscale (hundreds of kilometers) dynamic details, which cannot be confirmed by conventional data at this stage.

Brown, Robert A.↗
NASA NTRS1995

An Axial-Torsional, Thermomechanical Fatigue Testing Technique

A technique for conducting strain-controlled, thermomechanical, axial-torsional fatigue tests on thin-walled tubular specimens was developed. Three waveforms of loading, namely, the axial strain waveform, the engineering shear strain waveform, and the temperature waveform were required in these tests. The phasing relationships between the mechanical strain waveforms and the temperature and axial strain waveforms were used to define a set of four axial-torsional, thermomechanical fatigue (AT-TMF) tests. Real-time test control (3 channels) and data acquisition (a minimum of 7 channels) were performed with a software program written in C language and executed on a personal computer. The AT-TMF testing technique was used to investigate the axial-torsional thermomechanical fatigue behavior of a cobalt-base superalloy, Haynes 188. The maximum and minimum temperatures selected for the AT-TMF tests were 760 and 316 C, respectively. Details of the testing system, calibration of the dynamic temperature profile of the thin-walled tubular specimen, thermal strain compensation technique, and test control and data acquisition schemes, are reported. The isothermal, axial, torsional, and in- and out-of-phase axial-torsional fatigue behaviors of Haynes 188 at 316 and 760 C were characterized in previous investigations. The cyclic deformation and fatigue behaviors of Haynes 188 in AT-TMF tests are compared to the previously reported isothermal axial-torsional behavior of this superalloy at the maximum and minimum temperatures.

Kalluri, Sreeramesh↗
DOE OSTI2020

A Survey of Multizone Airflow Simulation Software

H-Canyon simulates the building and process ventilation to ensure positive contamination control for any modifications as well as evaluating off-normal conditions. Simulations can also be used to identify air quality of personnel occupied areas. The models can be classified into two groups, single and multi-zone models. As the name states, a single zone model assumes that the building can be described by a single, well-mixed zone. Whereas large buildings have structures that must be described as multizone. Multizone airflow models deal with the difficulty of flows in a building by distinguishing the effects of internal flow restrictions. Several models have been developed that take internal partitions into account. CONTAM (currently used) is a multizone airflow program created by NIST to determine airflows including infiltration, exfiltration, wind pressures acting outside the building, buoyancy effects caused by the indoor and outdoor air temperature difference. COMIS is a multizone air infiltration, ventilation, and contaminant transport model that was developed at Lawrence Berkeley National Laboratory. COMIS deals with applied pressure distribution, airflow components, HVAC systems, schedules, and contaminant transport. EnergyPlus is designed by DOE. It supports flexible component level configuration of HVAC models and simulates sub-hourly time steps to control fast dynamic systems. The program features include providing accurate environmental performance data including energy consumption and carbon emissions, and reporting solar gains on surfaces. Heavent is used to model industrial ventilation systems to control airborne contaminants. It's designed based on the American Conference of Governmental Industrial Hygienists (ACGIH) Ventilation manual. DesignBuilder is the most recognized and advanced user interface to EnergyPlus. It gives access to all of the most frequently required simulation capabilities covering building fabric, thermal mass, glazing, shading renewables, and HVAC analysis. The objective of this study is to identify all relevant software available including commercially licensed, freely licensed, and open source, that can be used to simulate large, complex process facility ventilation systems. All discovered software tools are evaluated for salient features and compared to the software tool currently used to simulate the H-Canyon ventilation system. The design criteria of a ventilation system has two basic requirements: Supplying fresh air for the occupants and changing the air in the room sufficiently; therefore, the smells, fumes, and contaminants will be removed. In this study, first, whether the software simulates airflow (infiltration, natural ventilation, and interzonal) or considers them to be inputs is discussed. Second, if indoor contaminant levels are considered; and finally suggestions on how airflow analysis can be more appropriately accounted for when performing airflow simulation of a building. All of the airflow software reviewed for this study can account for constant infiltration and natural ventilation rates that are not affected by changes in indoor and outdoor conditions. Modelling infiltration in EnergyPlus or DesignBuilder are applicable for small buildings and not appropriate for larger buildings like the H-Canyon. The effect of wind on external pressures, infiltration, and natural and mechanical ventilation, can also be calculated using all of these software. These programs have control options to switch between natural to mechanical ventilation modes or both (hybrid). Interzonal airflow can be applied which means one zone can be specified to receive a fixed amount of air from another zone. The following ventilation modeling software is recommended for further testing: CONTAM, COMIS, Heavent. The next step in evaluating the software will consist of creating test facility simulations using evaluation copies of the software.

42 ENGINEERING↗