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An overview of data tools for representing and managing building information and performance data

Building information modeling (BIM) has been widely adopted for representing and exchanging building data across disciplines during building design and construction. However, BIM's use in the building operation phase is limited. With the increasing deployment of low-cost sensors and meters, as well as affordable digital storage and computing technologies, growing volumes of data have been collected from buildings, their energy services systems, and occupants. Such data are crucial to help decision makers understand what, how, and when energy is consumed in buildings—a critical step to improving building performance for energy efficiency, demand flexibility, and resilience. However, practical analyses and use of the collected data are very limited due to various reasons, including poor data quality, ad-hoc representation of data, and lack of data science skills. To unlock value from building data, there is a strong need for a toolchain to curate and represent building information and performance data in common standardized terminologies and schemas, to enable interoperability between tools and applications. This study selected and reviewed 24 data tools based on common use cases of data across the building life cycle, from design to construction, commissioning, operation, and retrofits. The selected data tools are grouped into three categories: (1) data dictionary or terminology, (2) data ontology and schemas, and (3) data platforms. The data are grouped into ten typologies covering most types of data collected in buildings. This study resulted in five main findings: (1) most data representation tools can represent their intended data typologies well, such as Green Button for smart meter data and Brick schema for metadata of sensors in buildings and HVAC systems, but none of the tools cover all ten types of data; (2) there is a need for data schemas to represent the basis of design data and metadata of occupant data; (3) standard terminologies such as those defined in BEDES are only adopted in a few data tools; (4) integrating data across various stages in the building life cycle remains a challenge; and (5) most data tools were developed and maintained by different parties for different purposes, their flexibility and interoperability can be improved to support broader use cases. Finally, recommendations for future research on building data tools are provided for the data and buildings community based on the FAIR principles to make data Findable, Accessible, Interoperable, and Reusable.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

Moments of nucleon unpolarized, polarized, and transversity parton distribution functions from lattice QCD at the physical point

The second Mellin moments ⟨ x ⟩ of the nucleon’s unpolarized, polarized, and transversity parton distribution functions are computed. Two lattice QCD ensembles at the physical pion mass are used: these were generated using a tree-level Symanzik-improved gauge action and 2 + 1 flavor tree-level improved Wilson Clover fermions coupling via 2-level HEX-smearing. The moments are extracted from forward matrix elements of local leading twist operators. We determine renomalization factors in RI-(S)MOM and match to MS ¯ at scale 2 GeV. Our findings show that operators that exhibit vanishing kinematics at zero momentum can have significantly reduced excited-state contamination. The resulting polarized moment is used to quantify the longitudinal contribution to the quark spin-orbit correlation. All our results agree within two sigma with previous lattice results. Published by the American Physical Society 2024

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

Water vapor column abundance retrievals during FIFE

A variation of the modified Langley plot algorithm is reported here and applied to the retrieval of atmospheric water column abundance from a filtered sunphotometer. In this new methodology an absorption data base (LOWTRAN 7) is used to compute a water abundance versus transmittance curve of growth, rather than the square-root dependence previously assumed. Validation of the technique is provided from an uncertainty analysis, and plans to further validate using Fourier transform spectrometers are detailed. The new sunphotometer technique is used to report local column water vapor during the First ISLSCP Field Experiment (FIFE), and comparisons are made with abundances retrieved via FIFE radiosonde observations. The sunphotometer data can best be utilized, however, to in turn validate data from airborne or in-orbit measurements of water vapor. With these flight sensors, horizontal and topographic variability within the scene can be viewed. An example of the airborne data set is given using an image from the airborne visible infrared imaging spectrometer, as acquired on August 31, 1990.

Bruegge, Carol J.↗

Fast Running Urban Dispersion Model for Radiological Dispersal Device (RDD) Releases: Model Description and Validation

Aeolus is an efficient three-dimensional computational fluid dynamics code based on finite volume method developed for predicting transport and dispersion of contaminants in a complex urban area. It solves the time dependent incompressible Navier-Stokes equation on a regular Cartesian staggered grid using a fractional step method. It also solves a scalar transport equation for temperature and using the Boussinesq approximation. The model also includes a Lagrangian dispersion model for predicting the transport and dispersion of atmospheric contaminants. The model can be run in an efficient Reynolds Average Navier-Stokes (RANS) mode with a run time of several minutes, or a more detailed Large Eddy Simulation (LES) mode with run time of hours for a typical simulation. This report describes the model components, including details on the physics models used in the code, as well as several model validation efforts. Aeolus wind and dispersion predictions are compared to field data from the Joint Urban Field Trials 2003 conducted in Oklahoma City (Allwine et al 2004) including both continuous and instantaneous releases. Newly implemented Aeolus capabilities include a decay chain model and an explosive Radiological Dispersal Device (RDD) source term; these capabilities are described. Aeolus predictions using the buoyant explosive RDD source are validated against two experimental data sets: the Green Field explosive cloud rise experiments conducted in Israel (Sharon et al 2012) and the Full-Scale RDD Field Trials conducted in Canada (Green et al 2016).

54 ENVIRONMENTAL SCIENCES↗

Status of Electronics Upgrades to the LANL Green is Clean Phoswich Detector Systems - 16419

Los Alamos National Laboratory radiological facilities produce low-density room trash that, in many cases, is not contaminated with radioactivity. It has been estimated that 50 to 90% of low-density room trash is free of radioactive contamination and eligible for inclusion in LANL's Green is Clean (GIC) program. The GIC program is a verification program for non-regulated waste from radiation controlled areas that has been actively segregated as nonradioactive through the use of the waste generator's acceptable knowledge. The GIC program has employed two large area Phoswich gamma ray detector systems (HERCULES and ZEUS) to assay and verify that GIC candidate waste meets free release disposal requirements. The large area (127 cm{sup 2}) Phoswich detectors consist of a thin NaI front crystal (3 mm thick) that is optically coupled to a thick CsI back crystal (50 mm thick). The crystals are set in an oxygen-free high-conductivity copper housing with a very thin (0.025 mm) aluminum entrance window. The scintillation properties of the two crystals are different enough to allow the system's electronic components to identify the origin of any pulse. The original systems utilize Nuclear Instrumentation Module (NIM) electronics to process the detector signals. These electronic modules provide the buffering, amplification, and pulse shape analyzer needed for the proper presentation of signals to the custom Phosmux router module. The router module separates the sodium iodide and cesium iodide signals by their rise times and transfers this information into the computer-mounted multichannel analyzer, a Canberra Model S-100 system. While these NIM Bin counting electronics configurations have been effective for approximately 20 years of operation, they are bulky requiring numerous modules per detector and the important Phosmux module is no longer manufactured by LANL. Modern advancement of commercial counting electronics now offer more compact options for equivalent detector signal processing. A pulse shape discriminator module, the DGF Pixie-4, made by XIA LLC, has been identified that can replace the majority of the original NIM bin electronics in a much more compact chassis - one Pixie-4 replaces four NIM amplifiers and four NIM PSAs and fits in a small National Instruments{sup TM} chassis. Thus, LANL has initiated a system upgrade project to replace the historic NIM electronics with the XIA Pixie4 and associated configuration software. The hardware for one Phoswich systems has been procured for the project and the configuration software, customized for the LANL Phoswich detector application, has been written by the manufacturer. Initial setup and optimization of the Pixie-4 configuration has been performed. Qualitative and quantitative baseline comparisons to the NIM electronics has been performed. Good agreement of key low energy gamma lines between the systems has allowed 'Proof of Concept' to be concluded. Further optimization and performance evaluations are in progress. Modifications to the LabVIEW{sup TM} based operating software (originally written by VI Control Systems Ltd.) are being performed by a LANL LabVIEW{sup TM} programmer to accommodate the electronics upgrade. A new LabVIEW{sup TM} interface to control the Pixie-4 has already been developed. Final optimization and testing, formal software QA, and revisions to operating procedures are in progress to achieve completion of the GIC system upgrade project. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

Minimizing distortion and internal forces in truss structures by simulated annealing

Inaccuracies in the length of members and the diameters of joints of large truss reflector backup structures may produce unacceptable levels of surface distortion and member forces. However, if the member lengths and joint diameters can be measured accurately it is possible to configure the members and joints so that root-mean-square (rms) surface error and/or rms member forces is minimized. Following Greene and Haftka (1989) it is assumed that the force vector f is linearly proportional to the member length errors e(sub M) of dimension NMEMB (the number of members) and joint errors e(sub J) of dimension NJOINT (the number of joints), and that the best-fit displacement vector d is a linear function of f. Let NNODES denote the number of positions on the surface of the truss where error influences are measured. The solution of the problem is discussed. To classify, this problem was compared to a similar combinatorial optimization problem. In particular, when only the member length errors are considered, minimizing d(sup 2)(sub rms) is equivalent to the quadratic assignment problem. The quadratic assignment problem is a well known NP-complete problem in operations research literature. Hence minimizing d(sup 2)(sub rms) is is also an NP-complete problem. The focus of the research is the development of a simulated annealing algorithm to reduce d(sup 2)(sub rms). The plausibility of this technique is its recent success on a variety of NP-complete combinatorial optimization problems including the quadratic assignment problem. A physical analogy for simulated annealing is the way liquids freeze and crystallize. All computational experiments were done on a MicroVAX. The two interchange heuristic is very fast but produces widely varying results. The two and three interchange heuristic provides less variability in the final objective function values but runs much more slowly. Simulated annealing produced the best objective function values for every starting configuration and was faster than the two and three interchange heuristic.

Kincaid, Rex K.↗

Development and Design of a Zero-G Liquid Quantity Gauge for a Solar Thermal Vehicle

The development and design of a cryogenic liquid quantity gauge for zero-g applications is described. The gauge, named the Compression Mass Gauge (CMG), operates on the principle of slightly changing the volume of the tank by an oscillating bellows. The resulting pressure change is measured and used to predict the volume of vapor in the tank, from which the volume of liquid is computed. For each gauging instance, pressures are measured for several different bellows frequencies to enable minor real-gas effects to be quantified and thereby to obtain a gauging accuracy of +/- 1% of tank volume. Southwest Research Institute (Tm) and NASA-GRC (Glenn Research Center) have developed several previous breadboard and engineering development gauges and tested them in cryogenic hydrogen and nitrogen to establish the gauge capabilities, to resolve several design issues, and to formulate data processing algorithms. The CMG has been selected by NASA's Future X program for a flight demonstration on the USAF (United States Air Force) / Boeing Solar Thermal Vehicle Space Experiment (SOTVSE). This paper reviews the design trade studies needed to satisfy the SOTVSE limitations on CMG power, volume, and mass, and describes the mechanical design of the CMG.

Dodge, Franklin T.↗

Aerodynamics of Stardust Sample Return Capsule

Successful return of interstellar dust and cometary material by the Stardust Sample Return Capsule requires an accurate description of the Earth entry vehicle's aerodynamics. This description must span the hypersonic-rarefied, hypersonic-continuum, supersonic, transonic, and subsonic flow regimes. Data from numerous sources are compiled to accomplish this objective. These include Direct Simulation Monte Carlo analyses, thermochemical nonequilibrium computational fluid dynamics, transonic computational fluid dynamics, existing wind tunnel data, and new wind tunnel data. Four observations are highlighted: 1) a static instability is revealed in the free-molecular and early transitional-flow regime due to aft location of the vehicle s center-of-gravity, 2) the aerodynamics across the hypersonic regime are compared with the Newtonian flow approximation and a correlation between the accuracy of the Newtonian flow assumption and the sonic line position is noted, 3) the primary effect of shape change due to ablation is shown to be a reduction in drag, and 4) a subsonic dynamic instability is revealed which will necessitate either a change in the vehicle s center-of-gravity location or the use of a stabilizing drogue parachute.

Mitcheltree, R. A.↗

Searching for pulsars using image pattern recognition

In the modern era of big data, many fields of astronomy are generating huge volumes of data, the analysis of which can sometimes be the limiting factor in research. Fortunately, computer scientists have developed powerful data-mining techniques that can be applied to various fields. In this paper, we present a novel artificial intelligence (AI) program that identifies pulsars from recent surveys by using image pattern recognition with deep neural nets—the PICS (Pulsar Image-based Classification System) AI. The AI mimics human experts and distinguishes pulsars from noise and interference by looking for patterns from candidate plots. Different from other pulsar selection programs that search for expected patterns, the PICS AI is taught the salient features of different pulsars from a set of human-labeled candidates through machine learning. The training candidates are collected from the Pulsar Arecibo L-band Feed Array (PALFA) survey. The information from each pulsar candidate is synthesized in four diagnostic plots, which consist of image data with up to thousands of pixels. The AI takes these data from each candidate as its input and uses thousands of such candidates to train its ∼9000 neurons. The deep neural networks in this AI system grant it superior ability to recognize various types of pulsars as well as their harmonic signals. The trained AI's performance has been validated with a large set of candidates from a different pulsar survey, the Green Bank North Celestial Cap survey. In this completely independent test, the PICS ranked 264 out of 277 pulsar-related candidates, including all 56 previously known pulsars and 208 of their harmonics, in the top 961 (1%) of 90,008 test candidates, missing only 13 harmonics. The first non-pulsar candidate appears at rank 187, following 45 pulsars and 141 harmonics. In other words, 100% of the pulsars were ranked in the top 1% of all candidates, while 80% were ranked higher than any noise or interference. The performance of this system can be improved over time as more training data are accumulated. This AI system has been integrated into the PALFA survey pipeline and has discovered six new pulsars to date.

79 ASTRONOMY AND ASTROPHYSICS↗

RCSB Protein Data Bank (RCSB.org): delivery of experimentally-determined PDB structures alongside one million computed structure models of proteins from artificial intelligence/machine learning

Abstract The Research Collaboratory for Structural Bioinformatics Protein Data Bank (RCSB PDB), founding member of the Worldwide Protein Data Bank (wwPDB), is the US data center for the open-access PDB archive. As wwPDB-designated Archive Keeper, RCSB PDB is also responsible for PDB data security. Annually, RCSB PDB serves >10 000 depositors of three-dimensional (3D) biostructures working on all permanently inhabited continents. RCSB PDB delivers data from its research-focused RCSB.org web portal to many millions of PDB data consumers based in virtually every United Nations-recognized country, territory, etc. This Database Issue contribution describes upgrades to the research-focused RCSB.org web portal that created a one-stop-shop for open access to ∼200 000 experimentally-determined PDB structures of biological macromolecules alongside >1 000 000 incorporated Computed Structure Models (CSMs) predicted using artificial intelligence/machine learning methods. RCSB.org is a ‘living data resource.’ Every PDB structure and CSM is integrated weekly with related functional annotations from external biodata resources, providing up-to-date information for the entire corpus of 3D biostructure data freely available from RCSB.org with no usage limitations. Within RCSB.org, PDB structures and the CSMs are clearly identified as to their provenance and reliability. Both are fully searchable, and can be analyzed and visualized using the full complement of RCSB.org web portal capabilities.

59 BASIC BIOLOGICAL SCIENCES↗

Digital techniques for processing Landsat imagery

An overview of the basic techniques used to process Landsat images with a digital computer, and the VICAR image processing software developed at JPL and available to users through the NASA sponsored COSMIC computer program distribution center is presented. Examples of subjective processing performed to improve the information display for the human observer, such as contrast enhancement, pseudocolor display and band rationing, and of quantitative processing using mathematical models, such as classification based on multispectral signatures of different areas within a given scene and geometric transformation of imagery into standard mapping projections are given. Examples are illustrated by Landsat scenes of the Andes mountains and Altyn-Tagh fault zone in China before and after contrast enhancement and classification of land use in Portland, Oregon. The VICAR image processing software system which consists of a language translator that simplifies execution of image processing programs and provides a general purpose format so that imagery from a variety of sources can be processed by the same basic set of general applications programs is described.

Green, W. B.↗

Refinement of Modeling Techniques for the Structural Evaluation of Hanford Single-Shell Nuclear Waste Storage Tanks - 12288

The single-shell tanks at the Hanford Site (in Washington State, USA) were constructed between 1943 and 1964 and are well beyond their estimated 25 year design life. This article discusses the structural analysis approach and modeling challenges encountered during the ongoing analysis of record for evaluating the structural integrity of the single-shell tanks. There are several geometrical and material nonlinearities and uncertainties to be dealt with while performing the modern finite element analysis of these tanks. The analysis takes into account the temperature history of the tanks and allowable mechanical operating loads for proper estimation of creep strains and thermal degradation of material properties. The loads prescribed in the analysis of record models also include anticipated loads that may occur during waste retrieval and closure. Due to uncertainty in a number of modeling details, sensitivity studies were conducted to address questions related to boundary conditions that realistically or conservatively represent the influence of surrounding tanks in a tank farm, the influence of backfill excavation slope, the extent of backfill and the total extent of undisturbed soil surrounding the backfill. Because of the limited availability of data on the thermal and operating history for many of the individual tanks, some of the data was assumed or interpolated. However, the models developed for the analysis of record represent the bounding scenarios and include the loading conditions that the tanks were subjected to or anticipated. The modeling refinement techniques followed in the analysis of record resulted in conservative estimates for force and moment demands at various sections in the concrete tanks. This article discusses the modeling aspects related to Type-II and Type-III single-shell tanks. The modeling techniques, methodology and evaluation criteria developed for evaluating the structural integrity of single-shell tanks at Hanford are in general applicable to other similar tanks or underground concrete storage structures. This article presented the details of the finite element models and analysis approach followed during the ongoing effort to establish structural integrity of single shell tanks at the Hanford site. The details of the material constitutive models applicable to the underground Hanford concrete tanks that capture the thermal and creep induce degradation are also presented. The thermal profiles were developed based on the available tank temperature data for the Type II and Type III single-shell tanks, and they were chosen to yield conservative demands under the thermal and operating loads analysis of these tanks. Sensitivity studies were conducted to address two issues regarding the soils modeled around the single-shell tanks. The results indicate that excluding the boundary separating the backfill soil from the undisturbed soil will result in conservative demands (plots 14b and 14c green lines for circumferential Demand/Capacity ratios). The radial extent study indicated that the soil model extending to 240 ft gave more conservative results than the model with 62 ft of soil (plots 17a and 17c magenta lines for hoop Demand/Capacity ratios). Based on these results, a 240 ft far-field soil boundary with backfill throughout the lateral extent was recommended and used for the finite element models used in the Type-II and Type-III analyses of record. The modeling effort and sensitivity studies discussed in this article helped in developing bounding models for the structural integrity evaluation of single shell tanks at the Hanford site. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

Hemispherical Optical Dome for Underwater Communication

For many years, acoustic systems have been used as the primary method for underwater communication; however, the data transfer rate of such systems is low because sound propagates slowly through the water. A higher throughput can be achieved using visible light to transmit data underwater. The first issue with using this approach is that there is generally a large loss of the light signal due to scattering and absorption in water even though there is an optimal wavelength for transmission in the blue or green wavelengths of the visible spectrum. The second issue is that a simple system consisting only of a highly directional source/transmitter and small optical detector/receiver has a very narrow field of view. The goal of this project is to improve an optical, underwater communication system by increasing the effective field of view of the receiving optics. To this end, we make two changes to the simple system: (1) An optical dome was added near the receiver. An array of lenses is placed radially on the surface of the dome, reminiscent of the compound eye of an insect. The lenses make the source and detector planes conjugate, and each lens adds a new region of the source plane to the instrument's total field of view. (2) The receiver was expanded to include multiple photodiodes. With these two changes, the receiver has much more tolerance to misalignments (in position and angle) of the transmitter.Two versions of the optical dome (with 6 and 8 diameters) were designed using the CREO CAD software and modeled using the CODE V optical design software. A series of these transparent hemispherical domes, with both design diameters, were manufactured using a 5-axis mill. The prototype was then retrofitted with lenses and compared with the computer-generated model to demonstrate the effectiveness of this solution. This work shows the dome design improves the optical field of view of the underwater communication system considerably. Furthermore, with the experimental test results, a geometric optimization model was derived providing insights to the design performance limits.

Underwater↗

Transitory sensitivity in automatic chemical kinetic mechanism analysis

Abstract Detailed chemical kinetic mechanisms are necessary for resolving many important chemical processes. As the chemistry of smaller molecules has become better grounded and quantum chemistry calculations have become cheaper, kineticists have become interested in constructing progressively larger kinetic mechanisms to model increasingly complex chemical processes. These large kinetic mechanisms prove incredibly difficult to refine and time‐consuming to interpret. Traditional sensitivity analysis on a large mechanism can range from inconvenient to practically impossible without special techniques to reduce the computational cost. We first present a new time‐local sensitivity analysis we term transitory sensitivity analysis. Transitory sensitivity analysis is demonstrated in an example to accurately identify traditionally sensitive reactions at an 18,000x speed up over traditional sensitivities. By fusing transitory sensitivity analysis with more traditional time‐local branching, pathway, and cluster analyses, we develop an algorithm for efficient automatic mechanism analysis. This automatic mechanism analysis at a time point is able to identify the reactions a target is most sensitive to using transitory sensitivity analysis and then propose hypotheses why the reaction might be sensitive using branching, pathway, and cluster analyses. We implement these algorithms within the reaction mechanism simulator (RMS) package, which enables us to report the automatic mechanism analysis results in highly readable text formats and in molecular flux diagrams.

Johnson, Matthew S.↗

Comment on “Test of the Stark-effect theory using photoionization microscopy”

An article by Zhao et al. [Phys. Rev. A 86, 053413 (2012)] tests the local frame transformation (LFT) theory by comparing it with benchmark coupled-channel calculations. The system under consideration is an alkali-metal atom that is two-photon ionized in the presence of a static external electric field. Zhao et al. state that the differential cross sections computed in the LFT theory disagree with their supposedly more accurate coupled-channel calculations. They went on to diagnose the discrepancy and claimed that it originates in an inaccurate correspondence between the irregular functions in spherical and parabolic-cylindrical coordinates, a correspondence that lies at the heart of LFT theory. We have repeated the same tests and find that our calculations rule out the discrepancies that were claimed in Zhao et al. [Phys. Rev. A 86, 053413 (2012)] to exist between the LFT approximation and the exact calculations. Lastly, this Comment thus helps to clarify the accuracy of the Harmin-Fano theory and demonstrates that it is in fact remarkably accurate not only for the total photoionization cross section in the Stark effect, but also for the differential cross section in photoionization microscopy.

74 ATOMIC AND MOLECULAR PHYSICS↗

SIFT - Design and analysis of a fault-tolerant computer for aircraft control

SIFT (Software Implemented Fault Tolerance) is an ultrareliable computer for critical aircraft control applications that achieves fault tolerance by the replication of tasks among processing units. The main processing units are off-the-shelf minicomputers, with standard microcomputers serving as the interface to the I/O system. Fault isolation is achieved by using a specially designed redundant bus system to interconnect the processing units. Error detection and analysis and system reconfiguration are performed by software. Iterative tasks are redundantly executed, and the results of each iteration are voted upon before being used. Thus, any single failure in a processing unit or bus can be tolerated with triplication of tasks, and subsequent failures can be tolerated after reconfiguration. Independent execution by separate processors means that the processors need only be loosely synchronized, and a novel fault-tolerant synchronization method is described.

Wensley, J. H.↗

Hemispherical Optical Dome for Underwater Communication

For many years, acoustic systems have been used as the primary method for underwater communication; however, the data transfer rate of such systems is low because sound propagates slowly through the water. A higher throughput can be achieved using visible light to transmit data underwater. The first issue with using this approach is that there is generally a large loss of the light signal due to scattering and absorption in water even though there is an optimal wavelength for transmission in the blue or green wavelengths of the visible spectrum. The second issue is that a simple system consisting only of a highly directional source transmitter and small optical detector receiver has a very narrow field of view. The goal of this project is to improve an optical, underwater communication system by increasing the effective field of view of the receiving optics. To this end, we make two changes to the simple system: (1) An optical dome was added near the receiver. An array of lenses is placed radially on the surface of the dome, reminiscent of the compound eye of an insect. The lenses make the source and detector planes conjugate, and each lens adds a new region of the source plane to the instrument's total field of view. (2) The receiver was expanded to include multiple photodiodes. With these two changes, the receiver has much more tolerance to misalignments (in position and angle) of the transmitter.Two versions of the optical dome (with 6 and 8 diameters) were designed using the CREO CAD software and modeled using the CODE V optical design software. A series of these transparent hemispherical domes, with both design diameters, were manufactured using a 5-axis mill. The prototype was then retrofitted with lenses and compared with the computer-generated model to demonstrate the effectiveness of this solution. This work shows the dome design improves the optical field of view of the underwater communication system considerably. Furthermore, with the experimental test results, a geometric optimization model was derived providing insights to the design performance limits.

Design↗

Random sampling of the Green’s Functions for reversible reactions with an intermediate state

Exact random variate generators were developed to sample Green’s functions used in Brownian Dynamics (BD) algorithms for the simulations of chemical systems. These algorithms, which use less than a kilobyte of memory, provide a useful alternative to the table look-up method that has been used in similar work. The cases that are studied with this approach are (1) diffusion-influenced reactions; (2) reversible diffusion-influenced reactions and (3) reactions with an intermediate state such as enzymatic catalysis. The results are validated by comparison with those obtained by the Independent Reaction Times (IRT) method. This work is part of our effort in developing models to understand the role of radiation chemistry in the radiation effects on human body and may eventually be included in event-based models of space radiation risk.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗