pnnl/90.1-PRM_ECB-ReviewManual
The 90.1 Energy Cost Budget and Performance Rating Method Submittal Review Manual (the Manual) is a comprehensive reference for reviewing modeling based energy code compliance submittals.
Xu, Weili [PNNL]↗
SEARCH · Engineering Papers
Results for “reference models”
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.
Quote a phrase for an exact phrase match. Source license links do not imply unrestricted reuse.
SMART Mobility. Advanced Fueling Infrastructure Capstone Report
The U.S. Department of Energy’s Systems and Modeling for Accelerated Research in Transportation (SMART) Mobility Consortium is a multiyear, multi-laboratory collaborative, managed by the Energy Efficient Mobility Systems Program of the Office of Energy Efficiency and Renewable Energy, Vehicle Technologies Office, dedicated to further understanding the energy implications and opportunities of advanced mobility technologies and services. The first three-year research phase of SMART Mobility occurred from 2017 through 2019 and included five research pillars: Connected and Automated Vehicles, Mobility Decision Science, Multi-Modal Freight, Urban Science, and Advanced Fueling Infrastructure. A sixth research thrust integrated aspects of all five pillars to develop a SMART Mobility Modeling Workflow to evaluate new transportation technologies and services at scale. This report summarizes the work of the Advanced Fueling Infrastructure Pillar. This Pillar investigated the charging infrastructure needs of electric ride-hailing and car-sharing vehicles, automated shuttle buses, and freight-delivery truck fleets. For information about the other Pillars and about the SMART Mobility Modeling Workflow, please refer to the relevant Pillar’s Capstone Report.
32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
Large-Scale Welding Process Simulation by GPU Parallelized Computing
The computational design of industrially relevant welded structures is extremely time consuming due to coupled physics and high nonlinearity. Previously, most welding distortion and residual stress simulations have been limited to small coupons and reduced order (from three-dimensional [3D] to two-dimensional [2D]), or inherent strain approximations were used for large structures. In this current study, an explicit finite element code based on a graphics processing unit was utilized to perform 3D transient thermomechanical simulation of structural components during welding. Laser brazing of aluminum alloy panels as representative of automotive manufacturing scenarios was simulated to predict out-of-plane distortion under different clamping conditions. The predicted deformation pattern and magnitude were validated by laser scanning data of physical assemblies. In addition, the code was used to investigate residual stresses developed during multipass arc welding of a nuclear industry pressurizer surge nozzle and subsequent welding repair where a 3D simulation was necessary. Taking the experimental data as reference, the 3D model predicted better residual stress distribution than a typical 2D asymmetrical model. Stress evolution in welding repair was also presented and discussed in this study. Furthermore, the efficient numerical model made it feasible to use integrated computational welding engineering to simulate welding processes for large-scale structures.
97 MATHEMATICS AND COMPUTING↗
Site Density Functional Theory and Structural Bioinformatics Analysis of the SARS-CoV Spike Protein and hACE2 Complex
The entry of the SARS-CoV-2, a causative agent of COVID-19, into human host cells is mediated by the SARS-CoV-2 spike (S) glycoprotein, which critically depends on the formation of complexes involving the spike protein receptor-binding domain (RBD) and the human cellular membrane receptor angiotensin-converting enzyme 2 (hACE2). Using classical site density functional theory (SDFT) and structural bioinformatics methods, we investigate binding and conformational properties of these complexes and study the overlooked role of water-mediated interactions. Analysis of the three-dimensional reference interaction site model (3DRISM) of SDFT indicates that water mediated interactions in the form of additional water bridges strongly increases the binding between SARS-CoV-2 spike protein and hACE2 compared to SARS-CoV-1-hACE2 complex. By analyzing structures of SARS-CoV-2 and SARS-CoV-1, we find that the homotrimer SARS-CoV-2 S receptor-binding domain (RBD) has expanded in size, indicating large conformational change relative to SARS-CoV-1 S protein. Protomer with the up-conformational form of RBD, which binds with hACE2, exhibits stronger intermolecular interactions at the RBD-ACE2 interface, with differential distributions and the inclusion of specific H-bonds in the CoV-2 complex. Further interface analysis has shown that interfacial water promotes and stabilizes the formation of CoV-2/hACE2 complex. This interaction causes a significant structural rigidification of the spike protein, favoring proteolytic processing of the S protein for the fusion of the viral and cellular membrane. Moreover, conformational dynamics simulations of RBD motions in SARS-CoV-2 and SARS-CoV-1 point to the role in modification of the RBD dynamics and their impact on infectivity.
3DRISM↗
SPS large array simulation
Three types of computer simulations were developed to study the SPS microwave power transmission system (MPTS). The radially symmetric array simulation is low cost and is utilized to investigate general overall characteristics of the spacetenna at the array level only. "Tiltmain", a subarray level simulation program, is used to study the effects of system errors which modify the far-field pattern. The most recently designed program, "Modmain," takes the detail of simulation down to the RF module level and so to date is the closest numerical model of the reference design.
Rathjen, S.↗
Extended development of a sodium hydroxide thermal energy storage module
The post-test evaluation of a single heat exchanger sodium hydroxide thermal energy storage module for use in solar electric generation is reported. Chemical analyses of the storage medium used in the experimental model are presented. The experimental verification of the module performance using an alternate heat transfer fluid, Caloria HT-43, is described. Based on these results, a design analysis of a dual heat exchanger concept within the storage module is presented. A computer model and a reference design for the dual system (storage working fluid/power cycle working fluid) were completed. The dual system is estimated to have a capital cost of approximately one half that of the single heat exchanger concept.
Rice, R. E.↗
The discovery of an O subdwarf in the globular cluster NGC 6712
Spectral data for C49 in the globular cluster NGC 6712 are examined with reference to evolutionary models for low-mass stars that are contracting into white dwarfs. The spectrum of this star is found to be almost identical to that of the first sdO star found in a globular cluster, star A in NGC 6397. Analysis of the spectral data using nonlocal thermodynamic equilibrium models gives surface parameters T not less than 50,000 K, log g = 5.5 plus or minus 0.5, and N(He)/N(H) approximately equal to 0.1. The results are consistent with the models considered.
Remillard, R. A.↗
Bubble migration in a rotating, liquid-filled sphere
Results and analysis of ground-based experiments performed to aid in designing experiments on the behavior of bubbles in a rotating liquid body on board the Shuttle in free fall are presented. Spherical shells filled with silicone oil containing a small gas bubble were spun and filmed by high speed motion picture photography. The rotation of the shell and the trajectory of the bubble motion were recorded and the film was exposed to a motion analyzer connected to a keypunch. The analyzer measured Cartesian coordinates as well as angle, frame number, and rotation rate. Optical correction equations were employed to determine the apparent bubble trajectory relative to an inertial frame of reference. An analytical model for the bubble motion was defined, yielding predictions of velocity and position at different times. Rotation of the fluid container is concluded to aid in centering the bubbles.
Annamalai, P.↗
Global matrix of thermospheric density values for selected solar/geomagnetic conditions and spacecraft orbital attitudes
Presented are selected thermospheric/exospheric global mean and extreme density values computed between 130 and 1100 km altitude. These values were generated from the MSFC/J70 reference orbital atmospheric model using different input conditions of solar flux and geomagnetic index, ranging from low to peak. Typical magnitudes of day-night density changes are presented, as an example, for use in space vehicle orbital analyses.
Johnson, D. L.↗
Some recent developments in spectral methods
This paper is solely devoted to spectral iterative methods including spectral multigrid methods. These techniques are explained with reference to simple model problems. Some Navier-Stokes algorithms based on these techniques are mentioned. Results on transition simulation using these algorithms are presented.
Hussaini, M. Y.↗
Structure of the geomagnetic tail
Observational data on the structure of the earth magnetotail are summarized and discussed, with reference to theoretical models. Particular attention is given to the interplanetary control of the tail, the magnetic-field structure, the plasma-sheet boundary layer, the magnetotail plasma parameters, the chemical composition of the tail, and the evidence indicating that a steady-state magnetotail cannot exist. Extensive diagrams and graphs are provided.
Fairfield, D. H.↗
Arecibo emission-absorption observations of Galactic OH
Observations of OH emission/absorption toward 19 low-Galactic-latitude background-continuum sources are reported. Data obtained at 1.665 and 1.667 GHz using the 12-m radio telescope at Arecibo Observatory during February-March 1984, are presented in extensive tables and graphs and characterized in detail, with reference to theoretical models. A total of 11 OH absorption features were detected toward nine of the sources, with an average of one feature of optical depth 0.02 or greater per 5 kpc of path length and an average column density of 1.6 x 10 to the 12th/sq cm (corrected to b = 90 deg).
Colgan, Sean W. J.↗
Nonlinear dynamics, fractals, cardiac physiology and sudden death
The authors propose a diametrically opposite viewpoint to the generally accepted tendency of equating healthy function with order and disease with chaos. With regard to the question of sudden cardiac death and chaos, it is suggested that certain features of dynamical chaos related to fractal structure and fractal dynamics may be important organizing principles in normal physiology and that certain pathologies, including ventricular fibrillation, represent a class of 'pathological periodicities'. Some laboratory work bearing on the relation of nonlinear analysis to physiological and pathophysiological data is briefly reviewed, with tentative theories and models described in reference to the mechanism of ventricular fibrillation.
Goldberger, Ary L.↗
Candidate sample acquisition systems for the Rosetta
The Comet Nucleus Sample Return (CNSR) mission, one of the four cornerstones of the ESA scientific program, is one of the most complex space ventures within the next century, both from technological and deep space exploration point of view. In the Rosetta scenario the sample acquisition phase represents the most critical point for the global mission's success. The proposed paper illustrates the main results obtained in the context of the CNSR-SAS ongoing activity. The main areas covered are related to: (1) sample properties characterization (comet soil model, physical/chemical properties, reference material for testing); (2) concepts identification for coring, shovelling, harpooning and anchoring; (3) preferred concept (trade off among concepts, identification of the preferred configuration); and (4) proposed development activity for gaining the necessary confidence before finalizing the CNSR mission. Particular emphasis will be given to the robotic and flexibility aspects of the identified sample acquisition systems (SAS) configuration, intended as a means for the overall system performance enhancement.
Magnani, P. G.↗
Theft of information in the take-grant protection model
Questions of information flow are in many ways more important than questions of access control, because the goal of many security policies is to thwart the unauthorized release of information, not merely the illicit obtaining of access rights to that information. The Take-Grant Protection Model is a theoretical tool for examining such issues because conditions necessary and sufficient for information to flow between two objects, and for rights to objects to be obtained or stolen, are known. These results are extended by examining the question of information flow from an object the owner of which is unwilling to release that information. Necessary and sufficient conditions for such theft of information to occur are derived, and bounds on the number of subjects that must take action for the theft to occur are presented. To emphasize the usefulness of these results, the security policies of complete isolation, transfer of rights with the cooperation of an owner, and transfer of information (but not rights) with the cooperation of the owner are presented; the last is used to model a simple reference monitor guarding a resource.
Bishop, Matt↗
Development of an integrated BEM for hot fluid-structure interaction
A boundary element approach is developed for problems of hot fluid-structure interaction. The structure is idealized as a thermoelastic solid, and a time-domain, boundary-only integral formulation is described. Meanwhile, several approaches are discussed for the hot fluid. Integrals equations are developed for both compressible and incompressible thermoviscous flow. Due to the presence of nonlinear convective terms in the governing differential equations, domain discretization is generally required. However, with the introduction of reference velocities, volume modeling often can be confined to regions near obstacles and walls. All formulations are implemented for two-dimensional problems in GPO-BEST, a general purpose boundary element computer program. An overview of this numerical implementation is provided, along with several illustrative examples. The present fluid formulations are appropriate in the low to medium Reynolds number ranges; however, some enhancements required for higher speed simulations are noted.
Dargush, G. F.↗
The gamma-ray light curves of SN 1987A
Observations of the SN 1987A ejecta in four Co-56-decay gamma-ray lines, obtained using the SMM gamma-ray spectrometer between February 1987 and May 1989, are reported and analyzed. The instrument characteristics and data-reduction procedures are described, and the results are presented in extensive tables and graphs and discussed with reference to theoretical models. Gamma-ray fluxes significantly above possible instrumental levels (as determined from analysis of pre-1987 data) were detected in the second half of 1987 and the first half of 1988. The data are found to favor a model with some Co-56 in regions of low gamma-ray optical depth by 200 d after the SN outburst over models with all Co-56 at one depth within a uniform expanding envelope. Also investigated are the gamma-ray contribution to the total bolometric luminosity and the escape (and potential observability) of Co-57 gamma rays.
Leising, Mark D.↗
Resource envelope concepts for mission planning
Seven proposed methods for creating resource envelopes for Space Station Freedom mission planning are detailed. Four reference science activity models are used to illustrate the effect of adding operational flexibility to mission timelines. For each method, a brief explanation is given along with graphs to illustrate the application of the envelopes to the power and crew resources. The benefits and costs of each method are analyzed in terms of resource utilization. In addition to the effect on individual activities, resource envelopes are analyzed at the experiment level.
Ibrahim, K. Y.↗