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Sample records for 3-dimensional computer model

  1. Simple computer program to model 3-dimensional underground heat flow with realistic boundary conditions

    NASA Astrophysics Data System (ADS)

    Metz, P. D.

    A FORTRAN computer program called GROCS (GRound Coupled Systems) has been developed to study 3-dimensional underground heat flow. Features include the use of up to 30 finite elements or blocks of Earth which interact via finite difference heat flow equations and a subprogram which sets realistic time and depth dependent boundary conditions. No explicit consideration of mositure movement or freezing is given. GROCS has been used to model the thermal behavior of buried solar heat storage tanks (with and without insulation) and serpentine pipe fields for solar heat pump space conditioning systems. The program is available independently or in a form compatible with specially written TRNSYS component TYPE subroutines. The approach taken in the design of GROCS, the mathematics contained and the program architecture, are described. Then, the operation of the stand-alone version is explained. Finally, the validity of GROCS is discussed.

  2. The Effectiveness of an Interactive 3-Dimensional Computer Graphics Model for Medical Education

    PubMed Central

    Konishi, Takeshi; Tamura, Yoko; Moriguchi, Hiroki

    2012-01-01

    Background Medical students often have difficulty achieving a conceptual understanding of 3-dimensional (3D) anatomy, such as bone alignment, muscles, and complex movements, from 2-dimensional (2D) images. To this end, animated and interactive 3-dimensional computer graphics (3DCG) can provide better visual information to users. In medical fields, research on the advantages of 3DCG in medical education is relatively new. Objective To determine the educational effectiveness of interactive 3DCG. Methods We divided 100 participants (27 men, mean (SD) age 17.9 (0.6) years, and 73 women, mean (SD) age 18.1 (1.1) years) from the Health Sciences University of Mongolia (HSUM) into 3DCG (n = 50) and textbook-only (control) (n = 50) groups. The control group used a textbook and 2D images, while the 3DCG group was trained to use the interactive 3DCG shoulder model in addition to a textbook. We conducted a questionnaire survey via an encrypted satellite network between HSUM and Tokushima University. The questionnaire was scored on a 5-point Likert scale from strongly disagree (score 1) to strongly agree (score 5). Results Interactive 3DCG was effective in undergraduate medical education. Specifically, there was a significant difference in mean (SD) scores between the 3DCG and control groups in their response to questionnaire items regarding content (4.26 (0.69) vs 3.85 (0.68), P = .001) and teaching methods (4.33 (0.65) vs 3.74 (0.79), P < .001), but no significant difference in the Web category. Participants also provided meaningful comments on the advantages of interactive 3DCG. Conclusions Interactive 3DCG materials have positive effects on medical education when properly integrated into conventional education. In particular, our results suggest that interactive 3DCG is more efficient than textbooks alone in medical education and can motivate students to understand complex anatomical structures. PMID:23611759

  3. Contributions of the Musculus Uvulae to Velopharyngeal Closure Quantified With a 3-Dimensional Multimuscle Computational Model.

    PubMed

    Inouye, Joshua M; Lin, Kant Y; Perry, Jamie L; Blemker, Silvia S

    2016-02-01

    The convexity of the dorsal surface of the velum is critical for normal velopharyngeal (VP) function and is largely attributed to the levator veli palatini (LVP) and musculus uvulae (MU). Studies have correlated a concave or flat nasal velar surface to symptoms of VP dysfunction including hypernasality and nasal air emission. In the context of surgical repair of cleft palates, the MU has been given relatively little attention in the literature compared with the larger LVP. A greater understanding of the mechanics of the MU will provide insight into understanding the influence of a dysmorphic MU, as seen in cleft palate, as it relates to VP function. The purpose of this study was to quantify the contributions of the MU to VP closure in a computational model. We created a novel 3-dimensional (3D) finite element model of the VP mechanism from magnetic resonance imaging data collected from an individual with healthy noncleft VP anatomy. The model components included the velum, posterior pharyngeal wall (PPW), LVP, and MU. Simulations were based on the muscle and soft tissue mechanical properties from the literature. We found that, similar to previous hypotheses, the MU acts as (i) a space-occupying structure and (ii) a velar extensor. As a space-occupying structure, the MU helps to nearly triple the midline VP contact length. As a velar extensor, the MU acting alone without the LVP decreases the VP distance 62%. Furthermore, activation of the MU decreases the LVP activation required for closure almost 3-fold, from 20% (without MU) to 8% (with MU). Our study suggests that any possible salvaging and anatomical reconstruction of viable MU tissue in a cleft patient may improve VP closure due to its mechanical function. In the absence or dysfunction of MU tissue, implantation of autologous or engineered tissues at the velar midline, as a possible substitute for the MU, may produce a geometric convexity more favorable to VP closure. In the future, more complex models will

  4. Manufacturing models of fetal malformations built from 3-dimensional ultrasound, magnetic resonance imaging, and computed tomography scan data.

    PubMed

    Werner, Heron; Rolo, Liliam Cristine; Araujo Júnior, Edward; Dos Santos, Jorge Roberto Lopes

    2014-03-01

    Technological innovations accompanying advances in medicine have given rise to the possibility of obtaining better-defined fetal images that assist in medical diagnosis and contribute toward genetic counseling offered to parents during the prenatal period. In this article, we show our innovative experience of diagnosing fetal malformations through correlating 3-dimensional ultrasonography, magnetic resonance imaging, and computed tomography, which are accurate techniques for fetal assessment, with a fetal image reconstruction technique to create physical fetal models. PMID:24901782

  5. 3-Dimensional Topographic Models for the Classroom

    NASA Technical Reports Server (NTRS)

    Keller, J. W.; Roark, J. H.; Sakimoto, S. E. H.; Stockman, S.; Frey, H. V.

    2003-01-01

    We have recently undertaken a program to develop educational tools using 3-dimensional solid models of digital elevation data acquired by the Mars Orbital Laser Altimeter (MOLA) for Mars as well as a variety of sources for elevation data of the Earth. This work is made possible by the use of rapid prototyping technology to construct solid 3-Dimensional models of science data. We recently acquired rapid prototyping machine that builds 3-dimensional models in extruded plastic. While the machine was acquired to assist in the design and development of scientific instruments and hardware, it is also fully capable of producing models of spacecraft remote sensing data. We have demonstrated this by using Mars Orbiter Laser Altimeter (MOLA) topographic data and Earth based topographic data to produce extruded plastic topographic models which are visually appealing and instantly engage those who handle them.

  6. User's manual for master: Modeling of aerodynamic surfaces by 3-dimensional explicit representation. [input to three dimensional computational fluid dynamics

    NASA Technical Reports Server (NTRS)

    Gibson, S. G.

    1983-01-01

    A system of computer programs was developed to model general three dimensional surfaces. Surfaces are modeled as sets of parametric bicubic patches. There are also capabilities to transform coordinates, to compute mesh/surface intersection normals, and to format input data for a transonic potential flow analysis. A graphical display of surface models and intersection normals is available. There are additional capabilities to regulate point spacing on input curves and to compute surface/surface intersection curves. Input and output data formats are described; detailed suggestions are given for user input. Instructions for execution are given, and examples are shown.

  7. Incorporating 3-dimensional models in online articles

    PubMed Central

    Cevidanes, Lucia H. S.; Ruellasa, Antonio C. O.; Jomier, Julien; Nguyen, Tung; Pieper, Steve; Budin, Francois; Styner, Martin; Paniagua, Beatriz

    2015-01-01

    Introduction The aims of this article were to introduce the capability to view and interact with 3-dimensional (3D) surface models in online publications, and to describe how to prepare surface models for such online 3D visualizations. Methods Three-dimensional image analysis methods include image acquisition, construction of surface models, registration in a common coordinate system, visualization of overlays, and quantification of changes. Cone-beam computed tomography scans were acquired as volumetric images that can be visualized as 3D projected images or used to construct polygonal meshes or surfaces of specific anatomic structures of interest. The anatomic structures of interest in the scans can be labeled with color (3D volumetric label maps), and then the scans are registered in a common coordinate system using a target region as the reference. The registered 3D volumetric label maps can be saved in .obj, .ply, .stl, or .vtk file formats and used for overlays, quantification of differences in each of the 3 planes of space, or color-coded graphic displays of 3D surface distances. Results All registered 3D surface models in this study were saved in .vtk file format and loaded in the Elsevier 3D viewer. In this study, we describe possible ways to visualize the surface models constructed from cone-beam computed tomography images using 2D and 3D figures. The 3D surface models are available in the article’s online version for viewing and downloading using the reader’s software of choice. These 3D graphic displays are represented in the print version as 2D snapshots. Overlays and color-coded distance maps can be displayed using the reader’s software of choice, allowing graphic assessment of the location and direction of changes or morphologic differences relative to the structure of reference. The interpretation of 3D overlays and quantitative color-coded maps requires basic knowledge of 3D image analysis. Conclusions When submitting manuscripts, authors can

  8. From 2-dimensional cephalograms to 3-dimensional computed tomography scans.

    PubMed

    Halazonetis, Demetrios J

    2005-05-01

    Computed tomography is entering the orthodontic specialty as a mainstream diagnostic modality. Radiation exposure and cost have decreased significantly, and the diagnostic value is very high compared with traditional radiographic options. However, 3-dimensional data present new challenges and need a different approach from traditional viewing of static images to make the most of the available possibilities. Advances in computer hardware and software now enable interactive display of the data on personal computers, with the ability to selectively view soft or hard tissues from any angle. Transfer functions are used to apply transparency and color. Cephalometric measurements can be taken by digitizing points in 3-dimensional coordinates. Application of 3-dimensional data is expected to increase significantly soon and might eventually replace many conventional orthodontic records that are in use today. PMID:15877045

  9. Distinction of Green Sweet Peppers by Using Various Color Space Models and Computation of 3 Dimensional Location Coordinates of Recognized Green Sweet Peppers Based on Parallel Stereovision System

    NASA Astrophysics Data System (ADS)

    Bachche, Shivaji; Oka, Koichi

    2013-06-01

    This paper presents the comparative study of various color space models to determine the suitable color space model for detection of green sweet peppers. The images were captured by using CCD cameras and infrared cameras and processed by using Halcon image processing software. The LED ring around the camera neck was used as an artificial lighting to enhance the feature parameters. For color images, CieLab, YIQ, YUV, HSI and HSV whereas for infrared images, grayscale color space models were selected for image processing. In case of color images, HSV color space model was found more significant with high percentage of green sweet pepper detection followed by HSI color space model as both provides information in terms of hue/lightness/chroma or hue/lightness/saturation which are often more relevant to discriminate the fruit from image at specific threshold value. The overlapped fruits or fruits covered by leaves can be detected in better way by using HSV color space model as the reflection feature from fruits had higher histogram than reflection feature from leaves. The IR 80 optical filter failed to distinguish fruits from images as filter blocks useful information on features. Computation of 3D coordinates of recognized green sweet peppers was also conducted in which Halcon image processing software provides location and orientation of the fruits accurately. The depth accuracy of Z axis was examined in which 500 to 600 mm distance between cameras and fruits was found significant to compute the depth distance precisely when distance between two cameras maintained to 100 mm.

  10. Unification of color postprocessing techniques for 3-dimensional computational mechanics

    NASA Technical Reports Server (NTRS)

    Bailey, Bruce Charles

    1985-01-01

    To facilitate the understanding of complex three-dimensional numerical models, advanced interactive color postprocessing techniques are introduced. These techniques are sufficiently flexible so that postprocessing difficulties arising from model size, geometric complexity, response variation, and analysis type can be adequately overcome. Finite element, finite difference, and boundary element models may be evaluated with the prototype postprocessor. Elements may be removed from parent models to be studied as independent subobjects. Discontinuous responses may be contoured including responses which become singular, and nonlinear color scales may be input by the user for the enhancement of the contouring operation. Hit testing can be performed to extract precise geometric, response, mesh, or material information from the database. In addition, stress intensity factors may be contoured along the crack front of a fracture model. Stepwise analyses can be studied, and the user can recontour responses repeatedly, as if he were paging through the response sets. As a system, these tools allow effective interpretation of complex analysis results.

  11. Computer-assisted 3-dimensional anthropometry of the scaphoid.

    PubMed

    Pichler, Wolfgang; Windisch, Gunther; Schaffler, Gottfried; Heidari, Nima; Dorr, Katrin; Grechenig, Wolfgang

    2010-02-01

    Scaphoid fracture fixation using a cannulated headless compression screw and the Matti-Russe procedure for the treatment of scaphoid nonunions are performed routinely. Surgeons performing these procedures need to be familiar with the anatomy of the scaphoid. A literature review reveals relatively few articles on this subject. The goal of this anatomical study was to measure the scaphoid using current technology and to discuss the findings with respect to the current, relevant literature.Computed tomography scans of 30 wrists were performed using a 64-slice SOMATOM Sensation CT system (resolution 0.6 mm) (Siemens Medical Solutions Inc, Malvern, Pennsylvania). Three-dimensional reconstructions from the raw data were generated by MIMICS software (Materialise, Leuven, Belgium). The scaphoid had a mean length of 26.0 mm (range, 22.3-30.7 mm), and men had a significantly longer (P<.001) scaphoid than women (27.861.6 mm vs 24.561.6 mm, respectively). The width and height were measured at 3 different levels for volume calculations, resulting in a mean volume of 3389.5 mm(3). Men had a significantly larger (P<.001) scaphoid volume than women (4057.86740.7 mm(3) vs 2846.56617.5 mm(3), respectively).We found considerable variation in the length and volume of the scaphoid in our cohort. We also demonstrated a clear correlation between scaphoid size and sex. Surgeons performing operative fixation of scaphoid fractures and corticocancellous bone grafting for nonunions need to be familiar with these anatomical variations. PMID:20192143

  12. Development and Validation of a 3-Dimensional CFB Furnace Model

    NASA Astrophysics Data System (ADS)

    Vepsäläinen, Arl; Myöhänen, Karl; Hyppäneni, Timo; Leino, Timo; Tourunen, Antti

    At Foster Wheeler, a three-dimensional CFB furnace model is essential part of knowledge development of CFB furnace process regarding solid mixing, combustion, emission formation and heat transfer. Results of laboratory and pilot scale phenomenon research are utilized in development of sub-models. Analyses of field-test results in industrial-scale CFB boilers including furnace profile measurements are simultaneously carried out with development of 3-dimensional process modeling, which provides a chain of knowledge that is utilized as feedback for phenomenon research. Knowledge gathered by model validation studies and up-to-date parameter databases are utilized in performance prediction and design development of CFB boiler furnaces. This paper reports recent development steps related to modeling of combustion and formation of char and volatiles of various fuel types in CFB conditions. Also a new model for predicting the formation of nitrogen oxides is presented. Validation of mixing and combustion parameters for solids and gases are based on test balances at several large-scale CFB boilers combusting coal, peat and bio-fuels. Field-tests including lateral and vertical furnace profile measurements and characterization of solid materials provides a window for characterization of fuel specific mixing and combustion behavior in CFB furnace at different loads and operation conditions. Measured horizontal gas profiles are projection of balance between fuel mixing and reactions at lower part of furnace and are used together with both lateral temperature profiles at bed and upper parts of furnace for determination of solid mixing and combustion model parameters. Modeling of char and volatile based formation of NO profiles is followed by analysis of oxidizing and reducing regions formed due lower furnace design and mixing characteristics of fuel and combustion airs effecting to formation ofNO furnace profile by reduction and volatile-nitrogen reactions. This paper presents

  13. MT3D: a 3 dimensional magnetotelluric modeling program (user's guide and documentation for Rev. 1)

    SciTech Connect

    Nutter, C.; Wannamaker, P.E.

    1980-11-01

    MT3D.REV1 is a non-interactive computer program written in FORTRAN to do 3-dimensional magnetotelluric modeling. A 3-D volume integral equation has been adapted to simulate the MT response of a 3D body in the earth. An integro-difference scheme has been incorporated to increase the accuracy. This is a user's guide for MT3D.REV1 on the University of Utah Research Institute's (UURI) PRIME 400 computer operating under PRIMOS IV, Rev. 17.

  14. Particle trajectory computation on a 3-dimensional engine inlet. Final Report Ph.D. Thesis

    NASA Technical Reports Server (NTRS)

    Kim, J. J.

    1986-01-01

    A 3-dimensional particle trajectory computer code was developed to compute the distribution of water droplet impingement efficiency on a 3-dimensional engine inlet. The computed results provide the essential droplet impingement data required for the engine inlet anti-icing system design and analysis. The droplet trajectories are obtained by solving the trajectory equation using the fourth order Runge-Kutta and Adams predictor-corrector schemes. A compressible 3-D full potential flow code is employed to obtain a cylindrical grid definition of the flowfield on and about the engine inlet. The inlet surface is defined mathematically through a system of bi-cubic parametric patches in order to compute the droplet impingement points accurately. Analysis results of the 3-D trajectory code obtained for an axisymmetric droplet impingement problem are in good agreement with NACA experimental data. Experimental data are not yet available for the engine inlet impingement problem analyzed. Applicability of the method to solid particle impingement problems, such as engine sand ingestion, is also demonstrated.

  15. Using 3-dimensional printing to create presurgical models for endodontic surgery.

    PubMed

    Bahcall, James K

    2014-09-01

    Advances in endodontic surgery--from both a technological and procedural perspective-have been significant over the last 18 years. Although these technologies and procedural enhancements have significantly improved endodontic surgical treatment outcomes, there is still an ongoing challenge of overcoming the limitations of interpreting preoperative 2-dimensional (2-D) radiographic representation of a 3-dimensional (3-D) in vivo surgical field. Cone-beam Computed Tomography (CBCT) has helped to address this issue by providing a 3-D enhancement of the 2-D radiograph. The next logical step to further improve a presurgical case 3-D assessment is to create a surgical model from the CBCT scan. The purpose of this article is to introduce 3-D printing of CBCT scans for creating presurgical models for endodontic surgery. PMID:25197746

  16. Assessment and Planning for a Pediatric Bilateral Hand Transplant Using 3-Dimensional Modeling: Case Report.

    PubMed

    Gálvez, Jorge A; Gralewski, Kevin; McAndrew, Christine; Rehman, Mohamed A; Chang, Benjamin; Levin, L Scott

    2016-03-01

    Children are not typically considered for hand transplantation for various reasons, including the difficulty of finding an appropriate donor. Matching donor-recipient hands and forearms based on size is critically important. If the donor's hands are too large, the recipient may not be able to move the fingers effectively. Conversely, if the donor's hands are too small, the appearance may not be appropriate. We present an 8-year-old child evaluated for a bilateral hand transplant following bilateral amputation. The recipient forearms and model hands were modeled from computed tomography imaging studies and replicated as anatomic models with a 3-dimensional printer. We modified the scale of the printed hand to produce 3 proportions, 80%, 100% and 120%. The transplant team used the anatomical models during evaluation of a donor for appropriate match based on size. The donor's hand size matched the 100%-scale anatomical model hand and the transplant team was activated. In addition to assisting in appropriate donor selection by the transplant team, the 100%-scale anatomical model hand was used to create molds for prosthetic hands for the donor. PMID:26810827

  17. 3-DIMENSIONAL Numerical Modeling on the Combustion and Emission Characteristics of Biodiesel in Diesel Engines

    NASA Astrophysics Data System (ADS)

    Yang, Wenming; An, Hui; Amin, Maghbouli; Li, Jing

    2014-11-01

    A 3-dimensional computational fluid dynamics modeling is conducted on a direct injection diesel engine fueled by biodiesel using multi-dimensional software KIVA4 coupled with CHEMKIN. To accurately predict the oxidation of saturated and unsaturated agents of the biodiesel fuel, a multicomponent advanced combustion model consisting of 69 species and 204 reactions combined with detailed oxidation pathways of methyl decenoate (C11H22O2), methyl-9-decenoate (C11H20O2) and n-heptane (C7H16) is employed in this work. In order to better represent the real fuel properties, the detailed chemical and thermo-physical properties of biodiesel such as vapor pressure, latent heat of vaporization, liquid viscosity and surface tension were calculated and compiled into the KIVA4 fuel library. The nitrogen monoxide (NO) and carbon monoxide (CO) formation mechanisms were also embedded. After validating the numerical simulation model by comparing the in-cylinder pressure and heat release rate curves with experimental results, further studies have been carried out to investigate the effect of combustion chamber design on flow field, subsequently on the combustion process and performance of diesel engine fueled by biodiesel. Research has also been done to investigate the impact of fuel injector location on the performance and emissions formation of diesel engine.

  18. 3-dimensional orthodontics visualization system with dental study models and orthopantomograms

    NASA Astrophysics Data System (ADS)

    Zhang, Hua; Ong, S. H.; Foong, K. W. C.; Dhar, T.

    2005-04-01

    The aim of this study is to develop a system that provides 3-dimensional visualization of orthodontic treatments. Dental plaster models and corresponding orthopantomogram (dental panoramic tomogram) are first digitized and fed into the system. A semi-auto segmentation technique is applied to the plaster models to detect the dental arches, tooth interstices and gum margins, which are used to extract individual crown models. 3-dimensional representation of roots, generated by deforming generic tooth models with orthopantomogram using radial basis functions, is attached to corresponding crowns to enable visualization of complete teeth. An optional algorithm to close the gaps between deformed roots and actual crowns by using multi-quadratic radial basis functions is also presented, which is capable of generating smooth mesh representation of complete 3-dimensional teeth. User interface is carefully designed to achieve a flexible system with as much user friendliness as possible. Manual calibration and correction is possible throughout the data processing steps to compensate occasional misbehaviors of automatic procedures. By allowing the users to move and re-arrange individual teeth (with their roots) on a full dentition, this orthodontic visualization system provides an easy and accurate way of simulation and planning of orthodontic treatment. Its capability of presenting 3-dimensional root information with only study models and orthopantomogram is especially useful for patients who do not undergo CT scanning, which is not a routine procedure in most orthodontic cases.

  19. MICRO-DOSIMETRY ANALYSIS USING 3-DIMENSIONAL COMPUTER SIMULATIONS OF PARTICLE DEPOSITION IN HUMAN LUNGS

    EPA Science Inventory

    The aim of this project is to develop three-dimensional computer simulations for aerosol transport and deposition in human respiratory tract. Three-dimensional CFPD (computational fluid and particle dynamics) modeling is a powerful tool to obtain microscopic dose information at l...

  20. Creating 3-dimensional Models of the Photosphere using the SIR Code

    NASA Astrophysics Data System (ADS)

    Thonhofer, S.; Utz, D.; Jurčák, J.; Pauritsch, J.; Hanslmeier, A.; Lemmerer, B.

    A high-resolution 3-dimensional model of the photospheric magnetic field is essential for the investigation of magnetic features such as sunspots, pores or smaller elements like single flux tubes seen as magnetic bright points. The SIR code is an advanced inversion code that retrieves physical quantities, e.g. magnetic field, from Stokes profiles. Based on this code, we developed a program for automated inversion of Hinode SOT/SP data and for storing these results in 3-dimensional data cubes in the form of fits files. We obtained models of the temperature, magnetic field strength, magnetic field angles and LOS-velocity in a region of the quiet sun. We will give a first discussion of those parameters in regards of small scale magnetic fields and what we can obtain and learn in the future.

  1. 3-Dimensional Marine CSEM Modeling by Employing TDFEM with Parallel Solvers

    NASA Astrophysics Data System (ADS)

    Wu, X.; Yang, T.

    2013-12-01

    In this paper, parallel fulfillment is developed for forward modeling of the 3-Dimensional controlled source electromagnetic (CSEM) by using time-domain finite element method (TDFEM). Recently, a greater attention rises on research of hydrocarbon (HC) reservoir detection mechanism in the seabed. Since China has vast ocean resources, seeking hydrocarbon reservoirs become significant in the national economy. However, traditional methods of seismic exploration shown a crucial obstacle to detect hydrocarbon reservoirs in the seabed with a complex structure, due to relatively high acquisition costs and high-risking exploration. In addition, the development of EM simulations typically requires both a deep knowledge of the computational electromagnetics (CEM) and a proper use of sophisticated techniques and tools from computer science. However, the complexity of large-scale EM simulations often requires large memory because of a large amount of data, or solution time to address problems concerning matrix solvers, function transforms, optimization, etc. The objective of this paper is to present parallelized implementation of the time-domain finite element method for analysis of three-dimensional (3D) marine controlled source electromagnetic problems. Firstly, we established a three-dimensional basic background model according to the seismic data, then electromagnetic simulation of marine CSEM was carried out by using time-domain finite element method, which works on a MPI (Message Passing Interface) platform with exact orientation to allow fast detecting of hydrocarbons targets in ocean environment. To speed up the calculation process, SuperLU of an MPI (Message Passing Interface) version called SuperLU_DIST is employed in this approach. Regarding the representation of three-dimension seabed terrain with sense of reality, the region is discretized into an unstructured mesh rather than a uniform one in order to reduce the number of unknowns. Moreover, high-order Whitney

  2. Computer-Aided Designed, 3-Dimensionally Printed Porous Tissue Bioscaffolds For Craniofacial Soft Tissue Reconstruction

    PubMed Central

    Zopf, David A.; Mitsak, Anna G.; Flanagan, Colleen L.; Wheeler, Matthew; Green, Glenn E.; Hollister, Scott J.

    2016-01-01

    Objectives To determine the potential of integrated image-based Computer Aided Design (CAD) and 3D printing approach to engineer scaffolds for head and neck cartilaginous reconstruction for auricular and nasal reconstruction. Study Design Proof of concept revealing novel methods for bioscaffold production with in vitro and in vivo animal data. Setting Multidisciplinary effort encompassing two academic institutions. Subjects and Methods DICOM CT images are segmented and utilized in image-based computer aided design to create porous, anatomic structures. Bioresorbable, polycaprolactone scaffolds with spherical and random porous architecture are produced using a laser-based 3D printing process. Subcutaneous in vivo implantation of auricular and nasal scaffolds was performed in a porcine model. Auricular scaffolds were seeded with chondrogenic growth factors in a hyaluronic acid/collagen hydrogel and cultured in vitro over 2 months duration. Results Auricular and nasal constructs with several microporous architectures were rapidly manufactured with high fidelity to human patient anatomy. Subcutaneous in vivo implantation of auricular and nasal scaffolds resulted in excellent appearance and complete soft tissue ingrowth. Histologic analysis of in vitro scaffolds demonstrated native appearing cartilaginous growth respecting the boundaries of the scaffold. Conclusions Integrated image-based computer-aided design (CAD) and 3D printing processes generated patient-specific nasal and auricular scaffolds that supported cartilage regeneration. PMID:25281749

  3. A Modular Computer Code for Simulating Reactive Multi-Species Transport in 3-Dimensional Groundwater Systems

    SciTech Connect

    TP Clement

    1999-06-24

    RT3DV1 (Reactive Transport in 3-Dimensions) is computer code that solves the coupled partial differential equations that describe reactive-flow and transport of multiple mobile and/or immobile species in three-dimensional saturated groundwater systems. RT3D is a generalized multi-species version of the US Environmental Protection Agency (EPA) transport code, MT3D (Zheng, 1990). The current version of RT3D uses the advection and dispersion solvers from the DOD-1.5 (1997) version of MT3D. As with MT3D, RT3D also requires the groundwater flow code MODFLOW for computing spatial and temporal variations in groundwater head distribution. The RT3D code was originally developed to support the contaminant transport modeling efforts at natural attenuation demonstration sites. As a research tool, RT3D has also been used to model several laboratory and pilot-scale active bioremediation experiments. The performance of RT3D has been validated by comparing the code results against various numerical and analytical solutions. The code is currently being used to model field-scale natural attenuation at multiple sites. The RT3D code is unique in that it includes an implicit reaction solver that makes the code sufficiently flexible for simulating various types of chemical and microbial reaction kinetics. RT3D V1.0 supports seven pre-programmed reaction modules that can be used to simulate different types of reactive contaminants including benzene-toluene-xylene mixtures (BTEX), and chlorinated solvents such as tetrachloroethene (PCE) and trichloroethene (TCE). In addition, RT3D has a user-defined reaction option that can be used to simulate any other types of user-specified reactive transport systems. This report describes the mathematical details of the RT3D computer code and its input/output data structure. It is assumed that the user is familiar with the basics of groundwater flow and contaminant transport mechanics. In addition, RT3D users are expected to have some experience in

  4. Experimental Validation of Plastic Mandible Models Produced by a "Low-Cost" 3-Dimensional Fused Deposition Modeling Printer.

    PubMed

    Maschio, Federico; Pandya, Mirali; Olszewski, Raphael

    2016-01-01

    BACKGROUND The objective of this study was to investigate the accuracy of 3-dimensional (3D) plastic (ABS) models generated using a low-cost 3D fused deposition modelling printer. MATERIAL AND METHODS Two human dry mandibles were scanned with a cone beam computed tomography (CBCT) Accuitomo device. Preprocessing consisted of 3D reconstruction with Maxilim software and STL file repair with Netfabb software. Then, the data were used to print 2 plastic replicas with a low-cost 3D fused deposition modeling printer (Up plus 2®). Two independent observers performed the identification of 26 anatomic landmarks on the 4 mandibles (2 dry and 2 replicas) with a 3D measuring arm. Each observer repeated the identifications 20 times. The comparison between the dry and plastic mandibles was based on 13 distances: 8 distances less than 12 mm and 5 distances greater than 12 mm. RESULTS The mean absolute difference (MAD) was 0.37 mm, and the mean dimensional error (MDE) was 3.76%. The MDE decreased to 0.93% for distances greater than 12 mm CONCLUSIONS Plastic models generated using the low-cost 3D printer UPplus2® provide dimensional accuracies comparable to other well-established rapid prototyping technologies. Validated low-cost 3D printers could represent a step toward the better accessibility of rapid prototyping technologies in the medical field. PMID:27003456

  5. Experimental Validation of Plastic Mandible Models Produced by a “Low-Cost” 3-Dimensional Fused Deposition Modeling Printer

    PubMed Central

    Maschio, Federico; Pandya, Mirali; Olszewski, Raphael

    2016-01-01

    Background The objective of this study was to investigate the accuracy of 3-dimensional (3D) plastic (ABS) models generated using a low-cost 3D fused deposition modelling printer. Material/Methods Two human dry mandibles were scanned with a cone beam computed tomography (CBCT) Accuitomo device. Preprocessing consisted of 3D reconstruction with Maxilim software and STL file repair with Netfabb software. Then, the data were used to print 2 plastic replicas with a low-cost 3D fused deposition modeling printer (Up plus 2®). Two independent observers performed the identification of 26 anatomic landmarks on the 4 mandibles (2 dry and 2 replicas) with a 3D measuring arm. Each observer repeated the identifications 20 times. The comparison between the dry and plastic mandibles was based on 13 distances: 8 distances less than 12 mm and 5 distances greater than 12 mm. Results The mean absolute difference (MAD) was 0.37 mm, and the mean dimensional error (MDE) was 3.76%. The MDE decreased to 0.93% for distances greater than 12 mm. Conclusions Plastic models generated using the low-cost 3D printer UPplus2® provide dimensional accuracies comparable to other well-established rapid prototyping technologies. Validated low-cost 3D printers could represent a step toward the better accessibility of rapid prototyping technologies in the medical field. PMID:27003456

  6. Surgical Classification of the Mandibular Deformity in Craniofacial Microsomia Using 3-Dimensional Computed Tomography

    PubMed Central

    Swanson, Jordan W.; Mitchell, Brianne T.; Wink, Jason A.; Taylor, Jesse A.

    2016-01-01

    Background: Grading systems of the mandibular deformity in craniofacial microsomia (CFM) based on conventional radiographs have shown low interrater reproducibility among craniofacial surgeons. We sought to design and validate a classification based on 3-dimensional CT (3dCT) that correlates features of the deformity with surgical treatment. Methods: CFM mandibular deformities were classified as normal (T0), mild (hypoplastic, likely treated with orthodontics or orthognathic surgery; T1), moderate (vertically deficient ramus, likely treated with distraction osteogenesis; T2), or severe (ramus rudimentary or absent, with either adequate or inadequate mandibular body bone stock; T3 and T4, likely treated with costochondral graft or free fibular flap, respectively). The 3dCT face scans of CFM patients were randomized and then classified by craniofacial surgeons. Pairwise agreement and Fleiss' κ were used to assess interrater reliability. Results: The 3dCT images of 43 patients with CFM (aged 0.1–15.8 years) were reviewed by 15 craniofacial surgeons, representing an average 15.2 years of experience. Reviewers demonstrated fair interrater reliability with average pairwise agreement of 50.4 ± 9.9% (Fleiss' κ = 0.34). This represents significant improvement over the Pruzansky–Kaban classification (pairwise agreement, 39.2%; P = 0.0033.) Reviewers demonstrated substantial interrater reliability with average pairwise agreement of 83.0 ± 7.6% (κ = 0.64) distinguishing deformities requiring graft or flap reconstruction (T3 and T4) from others. Conclusion: The proposed classification, designed for the era of 3dCT, shows improved consensus with respect to stratifying the severity of mandibular deformity and type of operative management. PMID:27104097

  7. Role of the Animator in the Generation of 3-Dimensional Computer Generated Animation.

    ERIC Educational Resources Information Center

    Wedge, John Christian

    This master's thesis investigates the relationship between the traditional animator and the computer as computer animation systems allow them to apply traditional skills with a high degree of success. The advantages and disadvantages of traditional animation as a medium for expressing motion and character are noted, and it is argued that the…

  8. Computation of transonic potential flow about 3 dimensional inlets, ducts, and bodies

    NASA Technical Reports Server (NTRS)

    Reyhner, T. A.

    1982-01-01

    An analysis was developed and a computer code, P465 Version A, written for the prediction of transonic potential flow about three dimensional objects including inlet, duct, and body geometries. Finite differences and line relaxation are used to solve the complete potential flow equation. The coordinate system used for the calculations is independent of body geometry. Cylindrical coordinates are used for the computer code. The analysis is programmed in extended FORTRAN 4 for the CYBER 203 vector computer. The programming of the analysis is oriented toward taking advantage of the vector processing capabilities of this computer. Comparisons of computed results with experimental measurements are presented to verify the analysis. Descriptions of program input and output formats are also presented.

  9. Investigation of Asymmetries in Inductively Coupled Plasma Etching Reactors Using a 3-Dimensional Hybrid Model

    NASA Astrophysics Data System (ADS)

    Kushner, Mark J.; Grapperhaus, Michael J.

    1996-10-01

    Inductively Coupled Plasma (ICP) reactors have the potential for scaling to large area substrates while maintaining azimuthal symmetry or side-to-side uniformity across the wafer. Asymmetric etch properties in these devices have been attributed to transmission line properties of the coil, internal structures (such as wafer clamps) and non-uniform gas injection or pumping. To investigate the origins of asymmetric etch properties, a 3-dimensional hybrid model has been developed. The hybrid model contains electromagnetic, electric circuit, electron energy equation, and fluid modules. Continuity and momentum equations are solved in the fluid module along with Poisson's equation. We will discuss results for ion and radical flux uniformity to the substrate while varying the transmission line characteristics of the coil, symmetry of gas inlets/pumping, and internal structures. Comparisons will be made to expermental measurements of etch rates. ^*Work supported by SRC, NSF, ARPA/AFOSR and LAM Research.

  10. The Investigation of Accuracy of 3 Dimensional Models Generated From Point Clouds with Terrestrial Laser Scanning

    NASA Astrophysics Data System (ADS)

    Gumus, Kutalmis; Erkaya, Halil

    2013-04-01

    In Terrestrial laser scanning (TLS) applications, it is necessary to take into consideration the conditions that affect the scanning process, especially the general characteristics of the laser scanner, geometric properties of the scanned object (shape, size, etc.), and its spatial location in the environment. Three dimensional models obtained with TLS, allow determining the geometric features and relevant magnitudes of the scanned object in an indirect way. In order to compare the spatial location and geometric accuracy of the 3-dimensional model created by Terrestrial laser scanning, it is necessary to use measurement tools that give more precise results than TLS. Geometric comparisons are performed by analyzing the differences between the distances, the angles between surfaces and the measured values taken from cross-sections between the data from the 3-dimensional model created with TLS and the values measured by other measurement devices The performance of the scanners, the size and shape of the scanned objects are tested using reference objects the sizes of which are determined with high precision. In this study, the important points to consider when choosing reference objects were highlighted. The steps up to processing the point clouds collected by scanning, regularizing these points and modeling in 3 dimensions was presented visually. In order to test the geometric correctness of the models obtained by Terrestrial laser scanners, sample objects with simple geometric shapes such as cubes, rectangular prisms and cylinders that are made of concrete were used as reference models. Three dimensional models were generated by scanning these reference models with Trimble Mensi GS 100. The dimension of the 3D model that is created from point clouds was compared with the precisely measured dimensions of the reference objects. For this purpose, horizontal and vertical cross-sections were taken from the reference objects and generated 3D models and the proximity of

  11. 3-Dimensional Geologic Modeling Applied to the Structural Characterization of Geothermal Systems: Astor Pass, Nevada, USA

    SciTech Connect

    Siler, Drew L; Faulds, James E; Mayhew, Brett

    2013-04-16

    Geothermal systems in the Great Basin, USA, are controlled by a variety of fault intersection and fault interaction areas. Understanding the specific geometry of the structures most conducive to broad-scale geothermal circulation is crucial to both the mitigation of the costs of geothermal exploration (especially drilling) and to the identification of geothermal systems that have no surface expression (blind systems). 3-dimensional geologic modeling is a tool that can elucidate the specific stratigraphic intervals and structural geometries that host geothermal reservoirs. Astor Pass, NV USA lies just beyond the northern extent of the dextral Pyramid Lake fault zone near the boundary between two distinct structural domains, the Walker Lane and the Basin and Range, and exhibits characteristics of each setting. Both northwest-striking, left-stepping dextral faults of the Walker Lane and kinematically linked northerly striking normal faults associated with the Basin and Range are present. Previous studies at Astor Pass identified a blind geothermal system controlled by the intersection of west-northwest and north-northwest striking dextral-normal faults. Wells drilled into the southwestern quadrant of the fault intersection yielded 94°C fluids, with geothermometers suggesting a maximum reservoir temperature of 130°C. A 3-dimensional model was constructed based on detailed geologic maps and cross-sections, 2-dimensional seismic data, and petrologic analysis of the cuttings from three wells in order to further constrain the structural setting. The model reveals the specific geometry of the fault interaction area at a level of detail beyond what geologic maps and cross-sections can provide.

  12. Solution of 3-dimensional time-dependent viscous flows. Part 2: Development of the computer code

    NASA Technical Reports Server (NTRS)

    Weinberg, B. C.; Mcdonald, H.

    1980-01-01

    There is considerable interest in developing a numerical scheme for solving the time dependent viscous compressible three dimensional flow equations to aid in the design of helicopter rotors. The development of a computer code to solve a three dimensional unsteady approximate form of the Navier-Stokes equations employing a linearized block emplicit technique in conjunction with a QR operator scheme is described. Results of calculations of several Cartesian test cases are presented. The computer code can be applied to more complex flow fields such as these encountered on rotating airfoils.

  13. A 3-dimensional DTI MRI-based model of GBM growth and response to radiation therapy.

    PubMed

    Hathout, Leith; Patel, Vishal; Wen, Patrick

    2016-09-01

    Glioblastoma (GBM) is both the most common and the most aggressive intra-axial brain tumor, with a notoriously poor prognosis. To improve this prognosis, it is necessary to understand the dynamics of GBM growth, response to treatment and recurrence. The present study presents a mathematical diffusion-proliferation model of GBM growth and response to radiation therapy based on diffusion tensor (DTI) MRI imaging. This represents an important advance because it allows 3-dimensional tumor modeling in the anatomical context of the brain. Specifically, tumor infiltration is guided by the direction of the white matter tracts along which glioma cells infiltrate. This provides the potential to model different tumor growth patterns based on location within the brain, and to simulate the tumor's response to different radiation therapy regimens. Tumor infiltration across the corpus callosum is simulated in biologically accurate time frames. The response to radiation therapy, including changes in cell density gradients and how these compare across different radiation fractionation protocols, can be rendered. Also, the model can estimate the amount of subthreshold tumor which has extended beyond the visible MR imaging margins. When combined with the ability of being able to estimate the biological parameters of invasiveness and proliferation of a particular GBM from serial MRI scans, it is shown that the model has potential to simulate realistic tumor growth, response and recurrence patterns in individual patients. To the best of our knowledge, this is the first presentation of a DTI-based GBM growth and radiation therapy treatment model. PMID:27572745

  14. Using Interior Point Method Optimization Techniques to Improve 2- and 3-Dimensional Models of Earth Structures

    NASA Astrophysics Data System (ADS)

    Zamora, A.; Gutierrez, A. E.; Velasco, A. A.

    2014-12-01

    2- and 3-Dimensional models obtained from the inversion of geophysical data are widely used to represent the structural composition of the Earth and to constrain independent models obtained from other geological data (e.g. core samples, seismic surveys, etc.). However, inverse modeling of gravity data presents a very unstable and ill-posed mathematical problem, given that solutions are non-unique and small changes in parameters (position and density contrast of an anomalous body) can highly impact the resulting model. Through the implementation of an interior-point method constrained optimization technique, we improve the 2-D and 3-D models of Earth structures representing known density contrasts mapping anomalous bodies in uniform regions and boundaries between layers in layered environments. The proposed techniques are applied to synthetic data and gravitational data obtained from the Rio Grande Rift and the Cooper Flat Mine region located in Sierra County, New Mexico. Specifically, we improve the 2- and 3-D Earth models by getting rid of unacceptable solutions (those that do not satisfy the required constraints or are geologically unfeasible) given the reduction of the solution space.

  15. Interactive 3-dimensional segmentation of MRI data in personal computer environment.

    PubMed

    Yoo, S S; Lee, C U; Choi, B G; Saiviroonporn, P

    2001-11-15

    We describe a method of interactive three-dimensional segmentation and visualization for anatomical magnetic resonance imaging (MRI) data in a personal computer environment. The visual feedback necessary during 3-D segmentation was provided by a ray casting algorithm, which was designed to allow users to interactively decide the visualization quality depending on the task-requirement. Structures such as gray matter, white matter, and facial skin from T1-weighted high-resolution MRI data were segmented and later visualized with surface rendering. Personal computers with central processing unit (CPU) speeds of 266, 400, and 700 MHz, were used for the implementation. The 3-D visualization upon each execution of the segmentation operation was achieved in the order of 2 s with a 700 MHz CPU. Our results suggest that 3-D volume segmentation with semi real-time visual feedback could be effectively implemented in a PC environment without the need for dedicated graphics processing hardware. PMID:11640960

  16. A 3-dimensional Navier-Stokes-Euler code for blunt-body flow computations

    NASA Technical Reports Server (NTRS)

    Li, C. P.

    1985-01-01

    The shock-layer flowfield is obtained with or without viscous and heat-conducting dissipations from the conservative laws of fluid dynamics equations using a shock-fitting implicity finite-difference technique. The governing equations are cast in curvilinear-orthogonal coordinates and transformed to the domain between the shock and the body. Another set of equations is used for the singular coordinate axis, which, together with a cone generator away from the stagnation point, encloses the computation domain. A time-dependent alternating direction implicit factorization technique is applied to integrate the equations with local-time increment until a steady solution is reached. The shock location is updated after the flowfield computation, but the wall conditions are implemented into the implicit procedure. Innovative procedures are introduced to define the initial flowfield, to treat both perfect and equilibrium gases, to advance the solution on a coarse-to-fine grid sequence, and to start viscous flow computations from their corresponding inviscid solutions. The results are obtained from a grid no greater than 28 by 18 by 7 and converged within 300 integration steps. They are of sufficient accuracy to start parabolized Navier-Stokes or Euler calculations beyond the nose region, to compare with flight and wind-tunnel data, and to evaluate conceptual designs of reentry spacecraft.

  17. A simple and efficient quasi 3-dimensional viscoelastic model and software for simulation of tapping-mode atomic force microscopy

    PubMed Central

    2015-01-01

    Summary This paper introduces a quasi-3-dimensional (Q3D) viscoelastic model and software tool for use in atomic force microscopy (AFM) simulations. The model is based on a 2-dimensional array of standard linear solid (SLS) model elements. The well-known 1-dimensional SLS model is a textbook example in viscoelastic theory but is relatively new in AFM simulation. It is the simplest model that offers a qualitatively correct description of the most fundamental viscoelastic behaviors, namely stress relaxation and creep. However, this simple model does not reflect the correct curvature in the repulsive portion of the force curve, so its application in the quantitative interpretation of AFM experiments is relatively limited. In the proposed Q3D model the use of an array of SLS elements leads to force curves that have the typical upward curvature in the repulsive region, while still offering a very low computational cost. Furthermore, the use of a multidimensional model allows for the study of AFM tips having non-ideal geometries, which can be extremely useful in practice. Examples of typical force curves are provided for single- and multifrequency tapping-mode imaging, for both of which the force curves exhibit the expected features. Finally, a software tool to simulate amplitude and phase spectroscopy curves is provided, which can be easily modified to implement other controls schemes in order to aid in the interpretation of AFM experiments. PMID:26734515

  18. A simple and efficient quasi 3-dimensional viscoelastic model and software for simulation of tapping-mode atomic force microscopy

    DOE PAGESBeta

    Solares, Santiago D.

    2015-11-26

    This study introduces a quasi-3-dimensional (Q3D) viscoelastic model and software tool for use in atomic force microscopy (AFM) simulations. The model is based on a 2-dimensional array of standard linear solid (SLS) model elements. The well-known 1-dimensional SLS model is a textbook example in viscoelastic theory but is relatively new in AFM simulation. It is the simplest model that offers a qualitatively correct description of the most fundamental viscoelastic behaviors, namely stress relaxation and creep. However, this simple model does not reflect the correct curvature in the repulsive portion of the force curve, so its application in the quantitative interpretationmore » of AFM experiments is relatively limited. In the proposed Q3D model the use of an array of SLS elements leads to force curves that have the typical upward curvature in the repulsive region, while still offering a very low computational cost. Furthermore, the use of a multidimensional model allows for the study of AFM tips having non-ideal geometries, which can be extremely useful in practice. Examples of typical force curves are provided for single- and multifrequency tappingmode imaging, for both of which the force curves exhibit the expected features. Lastly, a software tool to simulate amplitude and phase spectroscopy curves is provided, which can be easily modified to implement other controls schemes in order to aid in the interpretation of AFM experiments.« less

  19. A simple and efficient quasi 3-dimensional viscoelastic model and software for simulation of tapping-mode atomic force microscopy

    SciTech Connect

    Solares, Santiago D.

    2015-11-26

    This study introduces a quasi-3-dimensional (Q3D) viscoelastic model and software tool for use in atomic force microscopy (AFM) simulations. The model is based on a 2-dimensional array of standard linear solid (SLS) model elements. The well-known 1-dimensional SLS model is a textbook example in viscoelastic theory but is relatively new in AFM simulation. It is the simplest model that offers a qualitatively correct description of the most fundamental viscoelastic behaviors, namely stress relaxation and creep. However, this simple model does not reflect the correct curvature in the repulsive portion of the force curve, so its application in the quantitative interpretation of AFM experiments is relatively limited. In the proposed Q3D model the use of an array of SLS elements leads to force curves that have the typical upward curvature in the repulsive region, while still offering a very low computational cost. Furthermore, the use of a multidimensional model allows for the study of AFM tips having non-ideal geometries, which can be extremely useful in practice. Examples of typical force curves are provided for single- and multifrequency tappingmode imaging, for both of which the force curves exhibit the expected features. Lastly, a software tool to simulate amplitude and phase spectroscopy curves is provided, which can be easily modified to implement other controls schemes in order to aid in the interpretation of AFM experiments.

  20. 3-Dimensional Modeling of Capacitively and Inductively Coupled Plasma Etching Systems

    NASA Astrophysics Data System (ADS)

    Rauf, Shahid

    2008-10-01

    Low temperature plasmas are widely used for thin film etching during micro and nano-electronic device fabrication. Fluid and hybrid plasma models were developed 15-20 years ago to understand the fundamentals of these plasmas and plasma etching. These models have significantly evolved since then, and are now a major tool used for new plasma hardware design and problem resolution. Plasma etching is a complex physical phenomenon, where inter-coupled plasma, electromagnetic, fluid dynamics, and thermal effects all have a major influence. The next frontier in the evolution of fluid-based plasma models is where these models are able to self-consistently treat the inter-coupling of plasma physics with fluid dynamics, electromagnetics, heat transfer and magnetostatics. We describe one such model in this paper and illustrate its use in solving engineering problems of interest for next generation plasma etcher design. Our 3-dimensional plasma model includes the full set of Maxwell equations, transport equations for all charged and neutral species in the plasma, the Navier-Stokes equation for fluid flow, and Kirchhoff's equations for the lumped external circuit. This model also includes Monte Carlo based kinetic models for secondary electrons and stochastic heating, and can take account of plasma chemistry. This modeling formalism allows us to self-consistently treat the dynamics in commercial inductively and capacitively coupled plasma etching reactors with realistic plasma chemistries, magnetic fields, and reactor geometries. We are also able to investigate the influence of the distributed electromagnetic circuit at very high frequencies (VHF) on the plasma dynamics. The model is used to assess the impact of azimuthal asymmetries in plasma reactor design (e.g., off-center pump, 3D magnetic field, slit valve, flow restrictor) on plasma characteristics at frequencies from 2 -- 180 MHz. With Jason Kenney, Ankur Agarwal, Ajit Balakrishna, Kallol Bera, and Ken Collins.

  1. Porous Media Contamination: 3-Dimensional Visualization and Quantification Using X-Ray Computed Tomography

    NASA Astrophysics Data System (ADS)

    Goldstein, L.; Prasher, S. O.; Ghoshal, S.

    2004-05-01

    Non-aqueous phase liquids (NAPLs), if spilled into the subsurface, will migrate downward, and a significant fraction will become trapped in the soil matrix. These trapped NAPL globules partition into the water and/or vapor phase, and serve as continuous sources of contamination (e.g. source zones). At present, the presence of NAPL in the subsurface is typically inferred from chemical analysis data. There are no accepted methodologies or protocols available for the direct characterization of NAPLs in the subsurface. Proven and cost-effective methodologies are needed to allow effective implementation of remediation technologies at NAPL contaminated sites. X-ray Computed Tomography (CT) has the potential to non-destructively quantify NAPL mass and distribution in soil cores due to this technology's ability to detect small atomic density differences of solid, liquid, gas, and NAPL phases present in a representative volume element. We have demonstrated that environmentally significant NAPLs, such as gasoline and other oil products, chlorinated solvents, and PCBs possess a characteristic and predictable X-ray attenuation coefficient that permits their quantification in porous media at incident beam energies, typical of medical and industrial X-ray CT scanners. As part of this study, methodologies were developed for generating and analyzing X-ray CT data for the study of NAPLs in natural porous media. Columns of NAPL-contaminated soils were scanned, flushed with solvents and water to remove entrapped NAPL, and re-scanned. X-ray CT data was analyzed to obtain numerical arrays of soil porosity, NAPL saturation, and NAPL volume at a spatial resolution of 1 mm. This methodology was validated using homogeneous and heterogeneous soil columns with known quantities of gasoline and tetrachloroethylene. NAPL volumes computed using X-ray CT data was compared with known volumes from volume balance calculations. Error analysis revealed that in a 5 cm long and 2.5 cm diameter soil

  2. An Explicit 3-Dimensional Model for Reactive Transport of Nitrogen in Tile Drained Fields

    NASA Astrophysics Data System (ADS)

    Hill, D. J.; Valocchi, A. J.; Hudson, R. J.

    2001-12-01

    Recently, there has been increased interest in nitrate contamination of groundwater in the Midwest because of its link to surface water eutrophication, especially in the Gulf of Mexico. The vast majority of this nitrate is the product of biologically mediated transformation of fertilizers containing ammonia in the vadose zone of agricultural fields. For this reason, it is imperative that mathematical models, which can serve as useful tools to evaluate both the impact of agricultural fertilizer applications and nutrient-reducing management practices, are able to specifically address transport in the vadose zone. The development of a 3-dimensional explicit numerical model to simulate the movement and transformation of nitrogen species through the subsurface on the scale of an individual farm plot will be presented. At this scale, nitrogen fate and transport is controlled by a complex coupling among hydrologic, agricultural and biogeochemical processes. The nitrogen model is a component of a larger modeling effort that focuses upon conditions typical of those found in agricultural fields in Illinois. These conditions include non-uniform, multi-dimensional, transient flow in both saturated and unsaturated zones, geometrically complex networks of tile drains, coupled surface-subsurface-tile flow, and dynamic levels of dissolved oxygen in the soil profile. The advection-dispersion-reaction equation is solved using an operator-splitting approach, which is a flexible and straightforward strategy. Advection is modeled using a total variation diminishing scheme, dispersion is modeled using an alternating direction explicit method, and reactions are modeled using rate law equations. The model's stability and accuracy will be discussed, and test problems will be presented.

  3. Comparison of 1-, 2-, and 3-dimensional modeling of the TFTR for nuclear radiation transport analysis

    SciTech Connect

    Ku, L.P.; Kolibal, J.G.; Liew, S.L.

    1985-09-01

    The computational models of the TFTR constructed for the radiation transport analysis for the Q approx. 1 demonstration are summarized and reviewed. These models can be characterized by the dimensionality required to describe the geometry, and by the numerical methods of solving the transport equation. Results obtained with these models in the test cell are compared and discussed.

  4. Basement membrane proteins promote progression of intraepithelial neoplasia in 3-dimensional models of human stratified epithelium.

    PubMed

    Andriani, Frank; Garfield, Jackie; Fusenig, Norbert E; Garlick, Jonathan A

    2004-01-20

    We have developed novel 3-dimensional in vitro and in vivo tissue models that mimic premalignant disease of human stratified epithelium in order to analyze the stromal contribution of extracellular matrix and basement membrane proteins to the progression of intraepithelial neoplasia. Three-dimensional, organotypic cultures were grown either on a de-epidermalized human dermis with pre-existing basement membrane components on its surface (AlloDerm), on a Type I collagen gel that lacked basement membrane proteins or on polycarbonate membranes coated with purified extracellular matrix proteins. When tumor cells (HaCaT-II4) were mixed with normal keratinocytes (4:1/normals:HaCaT-II4), tumor cells selectively attached, persisted and proliferated at the dermal-epidermal interface in vitro and generated dysplastic tissues when transplanted to nude mice only when grown in the presence of the AlloDerm substrate. This stromal interface was permissive for tumor cell attachment due to the rapid assembly of structured basement membrane. When tumor cells were mixed with normal keratinocytes and grown on polycarbonate membranes coated with individual extracellular matrix or basement membrane components, selective attachment and significant intraepithelial expansion occurred only on laminin 1 and Type IV collagen-coated membranes. This preferential adhesion of tumor cells restricted the synthesis of laminin 5 to basal cells where it was deposited in a polarized distribution. Western blot analysis revealed that tumor cell attachment was not due to differences in the synthesis or processing of laminin 5. Thus, intraepithelial progression towards premalignant disease is dependent on the selective adhesion of cells with malignant potential to basement membrane proteins that provide a permissive template for their persistence and expansion. PMID:14648700

  5. First Results from a Forward, 3-Dimensional Regional Model of a Transpressional San Andreas Fault System

    NASA Astrophysics Data System (ADS)

    Fitzenz, D. D.; Miller, S. A.

    2001-12-01

    We present preliminary results from a 3-dimensional fault interaction model, with the fault system specified by the geometry and tectonics of the San Andreas Fault (SAF) system. We use the forward model for earthquake generation on interacting faults of Fitzenz and Miller [2001] that incorporates the analytical solutions of Okada [85,92], GPS-constrained tectonic loading, creep compaction and frictional dilatancy [Sleep and Blanpied, 1994, Sleep, 1995], and undrained poro-elasticity. The model fault system is centered at the Big Bend, and includes three large strike-slip faults (each discretized into multiple subfaults); 1) a 300km, right-lateral segment of the SAF to the North, 2) a 200km-long left-lateral segment of the Garlock fault to the East, and 3) a 100km-long right-lateral segment of the SAF to the South. In the initial configuration, three shallow-dipping faults are also included that correspond to the thrust belt sub-parallel to the SAF. Tectonic loading is decomposed into basal shear drag parallel to the plate boundary with a 35mm yr-1 plate velocity, and East-West compression approximated by a vertical dislocation surface applied at the far-field boundary resulting in fault-normal compression rates in the model space about 4mm yr-1. Our aim is to study the long-term seismicity characteristics, tectonic evolution, and fault interaction of this system. We find that overpressured faults through creep compaction are a necessary consequence of the tectonic loading, specifically where high normal stress acts on long straight fault segments. The optimal orientation of thrust faults is a function of the strike-slip behavior, and therefore results in a complex stress state in the elastic body. This stress state is then used to generate new fault surfaces, and preliminary results of dynamically generated faults will also be presented. Our long-term aim is to target measurable properties in or around fault zones, (e.g. pore pressures, hydrofractures, seismicity

  6. A Geometric Modelling Approach to Determining the Best Sensing Coverage for 3-Dimensional Acoustic Target Tracking in Wireless Sensor Networks

    PubMed Central

    Pashazadeh, Saeid; Sharifi, Mohsen

    2009-01-01

    Existing 3-dimensional acoustic target tracking methods that use wired/wireless networked sensor nodes to track targets based on four sensing coverage do not always compute the feasible spatio-temporal information of target objects. To investigate this discrepancy in a formal setting, we propose a geometric model of the target tracking problem alongside its equivalent geometric dual model that is easier to solve. We then study and prove some properties of dual model by exploiting its relationship with algebra. Based on these properties, we propose a four coverage axis line method based on four sensing coverage and prove that four sensing coverage always yields two dual correct answers; usually one of them is infeasible. By showing that the feasible answer can be only sometimes identified by using a simple time test method such as the one proposed by ourselves, we prove that four sensing coverage fails to always yield the feasible spatio-temporal information of a target object. We further prove that five sensing coverage always gives the feasible position of a target object under certain conditions that are discussed in this paper. We propose three extensions to four coverage axis line method, namely, five coverage extent point method, five coverage extended axis lines method, and five coverage redundant axis lines method. Computation and time complexities of all four proposed methods are equal in the worst cases as well as on average being equal to Θ(1) each. Proposed methods and proved facts about capabilities of sensing coverage degree in this paper can be used in all other methods of acoustic target tracking like Bayesian filtering methods. PMID:22423198

  7. Application of 3-Dimensional Printing Technology to Construct an Eye Model for Fundus Viewing Study

    PubMed Central

    Li, Xinhua; Gao, Zhishan; Yuan, Dongqing; Liu, Qinghuai

    2014-01-01

    Objective To construct a life-sized eye model using the three-dimensional (3D) printing technology for fundus viewing study of the viewing system. Methods We devised our schematic model eye based on Navarro's eye and redesigned some parameters because of the change of the corneal material and the implantation of intraocular lenses (IOLs). Optical performance of our schematic model eye was compared with Navarro's schematic eye and other two reported physical model eyes using the ZEMAX optical design software. With computer aided design (CAD) software, we designed the 3D digital model of the main structure of the physical model eye, which was used for three-dimensional (3D) printing. Together with the main printed structure, polymethyl methacrylate(PMMA) aspherical cornea, variable iris, and IOLs were assembled to a physical eye model. Angle scale bars were glued from posterior to periphery of the retina. Then we fabricated other three physical models with different states of ammetropia. Optical parameters of these physical eye models were measured to verify the 3D printing accuracy. Results In on-axis calculations, our schematic model eye possessed similar size of spot diagram compared with Navarro's and Bakaraju's model eye, much smaller than Arianpour's model eye. Moreover, the spherical aberration of our schematic eye was much less than other three model eyes. While in off- axis simulation, it possessed a bit higher coma and similar astigmatism, field curvature and distortion. The MTF curves showed that all the model eyes diminished in resolution with increasing field of view, and the diminished tendency of resolution of our physical eye model was similar to the Navarro's eye. The measured parameters of our eye models with different status of ametropia were in line with the theoretical value. Conclusions The schematic eye model we designed can well simulate the optical performance of the human eye, and the fabricated physical one can be used as a tool in fundus

  8. An approximate single fluid 3-dimensional magnetohydrodynamic equilibrium model with toroidal flow

    NASA Astrophysics Data System (ADS)

    Cooper, W. A.; Hirshman, S. P.; Chapman, I. T.; Brunetti, D.; Faustin, J. M.; Graves, J. P.; Pfefferlé, D.; Raghunathan, M.; Sauter, O.; Tran, T. M.; Aiba, N.

    2014-09-01

    An approximate model for a single fluid three-dimensional (3D) magnetohydrodynamic (MHD) equilibrium with pure isothermal toroidal flow with imposed nested magnetic flux surfaces is proposed. It recovers the rigorous toroidal rotation equilibrium description in the axisymmetric limit. The approximation is valid under conditions of nearly rigid or vanishing toroidal rotation in regions with significant 3D deformation of the equilibrium flux surfaces. Bifurcated helical core equilibrium simulations of long-lived modes in the MAST device demonstrate that the magnetic structure is only weakly affected by the flow but that the 3D pressure distortion is important. The pressure is displaced away from the major axis and therefore is not as noticeably helically deformed as the toroidal magnetic flux under the subsonic flow conditions measured in the experiment. The model invoked fails to predict any significant screening by toroidal plasma rotation of resonant magnetic perturbations in MAST free boundary computations.

  9. [Rapid 3-Dimensional Models of Cerebral Aneurysm for Emergency Surgical Clipping].

    PubMed

    Konno, Takehiko; Mashiko, Toshihiro; Oguma, Hirofumi; Kaneko, Naoki; Otani, Keisuke; Watanabe, Eiju

    2016-08-01

    We developed a method for manufacturing solid models of cerebral aneurysms, with a shorter printing time than that involved in conventional methods, using a compact 3D printer with acrylonitrile-butadiene-styrene(ABS)resin. We further investigated the application and utility of this printing system in emergency clipping surgery. A total of 16 patients diagnosed with acute subarachnoid hemorrhage resulting from cerebral aneurysm rupture were enrolled in the present study. Emergency clipping was performed on the day of hospitalization. Digital Imaging and Communication in Medicine(DICOM)data obtained from computed tomography angiography(CTA)scans were edited and converted to stereolithography(STL)file formats, followed by the production of 3D models of the cerebral aneurysm by using the 3D printer. The mean time from hospitalization to the commencement of surgery was 242 min, whereas the mean time required for manufacturing the 3D model was 67 min. The average cost of each 3D model was 194 Japanese Yen. The time required for manufacturing the 3D models shortened to approximately 1 hour with increasing experience of producing 3D models. Favorable impressions for the use of the 3D models in clipping were reported by almost all neurosurgeons included in this study. Although 3D printing is often considered to involve huge costs and long manufacturing time, the method used in the present study requires shorter time and lower costs than conventional methods for manufacturing 3D cerebral aneurysm models, thus making it suitable for use in emergency clipping. PMID:27506842

  10. A 3-Dimensional Model of Water-Bearing Sequences in the Dominguez Gap Region, Long Beach, California

    USGS Publications Warehouse

    Ponti, Daniel J.; Ehman, Kenneth D.; Edwards, Brian D.; Tinsley, John C., III; Hildenbrand, Thomas; Hillhouse, John W.; Hanson, Randall T.; McDougall, Kristen; Powell, Charles L.; Wan, Elmira; Land, Michael; Mahan, Shannon; Sarna-Wojcicki, Andrei M.

    2007-01-01

    A 3-dimensional computer model of the Quaternary sequence stratigraphy in the Dominguez gap region of Long Beach, California has been developed to provide a robust chronostratigraphic framework for hydrologic and tectonic studies. The model consists of 13 layers within a 16.5 by 16.1 km (10.25 by 10 mile) square area and extends downward to an altitude of -900 meters (-2952.76 feet). Ten sequences of late Pliocene to Holocene age are identified and correlated within the model. Primary data to build the model comes from five reference core holes, extensive high-resolution seismic data obtained in San Pedro Bay, and logs from several hundred water and oil wells drilled in the region. The model is best constrained in the vicinity of the Dominguez gap seawater intrusion barrier where a dense network of subsurface data exist. The resultant stratigraphic framework and geologic structure differs significantly from what has been proposed in earlier studies. An important new discovery from this approach is the recognition of ongoing tectonic deformation throughout nearly all of Quaternary time that has impacted the geometry and character of the sequences. Anticlinal folding along a NW-SE trend, probably associated with Quaternary reactivation of the Wilmington anticline, has uplifted and thinned deposits along the fold crest, which intersects the Dominguez gap seawater barrier near Pacific Coast Highway. A W-NW trending fault system that approximately parallels the fold crest has also been identified. This fault progressively displaces all but the youngest sequences down to the north and serves as the southern termination of the classic Silverado aquifer. Uplift and erosion of fining-upward paralic sequences along the crest of the young fold has removed or thinned many of the fine-grained beds that serve to protect the underlying Silverado aquifer from seawater contaminated shallow groundwater. As a result of this process, the potential exists for vertical migration of

  11. Computational Fluid Dynamics of Intracranial and Extracranal Arteries using 3-Dimensional Angiography: Technical Considerations with Physician's Point of View

    PubMed Central

    Yoon, Kyunghwan; Ko, Young Bae; Suh, Dae Chul

    2013-01-01

    We investigate the potentials and limitations of computational fluid dynamics (CFD) analysis of patient specific models from 3D angiographies. There are many technical problems in acquisition of proper vascular models, in pre-processing for making 2D surface and 3D volume meshes and also in post-processing steps for display the CFD analysis. We hope that our study could serves as a technical reference to validating other tools and CFD results. PMID:24024073

  12. High fidelity 3-dimensional models of beam-electron cloud interactions in circular accelerators

    NASA Astrophysics Data System (ADS)

    Feiz Zarrin Ghalam, Ali

    Electron cloud is a low-density electron profile created inside the vacuum chamber of circular machines with positively charged beams. Electron cloud limits the peak current of the beam and degrades the beams' quality through luminosity degradation, emittance growth and head to tail or bunch to bunch instability. The adverse effects of electron cloud on long-term beam dynamics becomes more and more important as the beams go to higher and higher energies. This problem has become a major concern in many future circular machines design like the Large Hadron Collider (LHC) under construction at European Center for Nuclear Research (CERN). Due to the importance of the problem several simulation models have been developed to model long-term beam-electron cloud interaction. These models are based on "single kick approximation" where the electron cloud is assumed to be concentrated at one thin slab around the ring. While this model is efficient in terms of computational costs, it does not reflect the real physical situation as the forces from electron cloud to the beam are non-linear contrary to this model's assumption. To address the existing codes limitation, in this thesis a new model is developed to continuously model the beam-electron cloud interaction. The code is derived from a 3-D parallel Particle-In-Cell (PIC) model (QuickPIC) originally used for plasma wakefield acceleration research. To make the original model fit into circular machines environment, betatron and synchrotron equations of motions have been added to the code, also the effect of chromaticity, lattice structure have been included. QuickPIC is then benchmarked against one of the codes developed based on single kick approximation (HEAD-TAIL) for the transverse spot size of the beam in CERN-LHC. The growth predicted by QuickPIC is less than the one predicted by HEAD-TAIL. The code is then used to investigate the effect of electron cloud image charges on the long-term beam dynamics, particularly on the

  13. In vitro 3-dimensional tumor model for radiosensitivity of HPV positive OSCC cell lines

    PubMed Central

    Zhang, Mei; Rose, Barbara; Lee, C Soon; Hong, Angela M

    2015-01-01

    The incidence of oropharyngeal squamous cell carcinoma (OSCC) is increasing due to the rising prevalence of human papillomavirus (HPV) positive OSCC. HPV positive OSCC is associated with better outcomes than HPV negative OSCC. Our aim was to explore the possibility that this favorable prognosis is due to the enhanced radiosensitivity of HPV positive OSCC. HPV positive OSCC cell lines were generated from the primary OSCCs of 2 patients, and corresponding HPV positive cell lines generated from nodal metastases following xenografting in nude mice. Monolayer and 3 dimensional (3D) culture techniques were used to compare the radiosensitivity of HPV positive lines with that of 2 HPV negative OSCC lines. Clonogenic and protein assays were used to measure survival post radiation. Radiation induced cell cycle changes were studied using flow cytometry. In both monolayer and 3D culture, HPV positive cells exhibited a heterogeneous appearance whereas HPV negative cells tended to be homogeneous. After irradiation, HPV positive cells had a lower survival in clonogenic assays and lower total protein levels in 3D cultures than HPV negative cells. Irradiated HPV positive cells showed a high proportion of cells in G1/S phase, increased apoptosis, an increased proliferation rate, and an inability to form 3D tumor clumps. In conclusion, HPV positive OSCC cells are more radiosensitive than HPV negative OSCC cells in vitro, supporting a more radiosensitive nature of HPV positive OSCC. PMID:26046692

  14. The 3-dimensional, 4-channel model of human visual sensitivity to grayscale scrambles.

    PubMed

    Silva, Andrew E; Chubb, Charles

    2014-08-01

    Previous research supports the claim that human vision has three dimensions of sensitivity to grayscale scrambles (textures composed of randomly scrambled mixtures of different grayscales). However, the preattentive mechanisms (called here "field-capture channels") that confer this sensitivity remain obscure. The current experiments sought to characterize the specific field-capture channels that confer this sensitivity using a task in which the participant is required to detect the location of a small patch of one type of grayscale scramble in an extended background of another type. Analysis of the results supports the existence of four field-capture channels: (1) the (previously characterized) "blackshot" channel, sharply tuned to the blackest grayscales; (2) a (previously unknown) "gray-tuned" field-capture channel whose sensitivity is zero for black rising sharply to maximum sensitivity for grayscales slightly darker than mid-gray then decreasing to half-height for brighter grayscales; (3) an "up-ramped" channel whose sensitivity is zero for black, increases linearly with increasing grayscale reaching a maximum near white; (4) a (complementary) "down-ramped" channel whose sensitivity is maximal for black, decreases linearly reaching a minimum near white. The sensitivity functions of field-capture channels (3) and (4) are linearly dependent; thus, these four field-capture channels collectively confer sensitivity to a 3-dimensional space of histogram variations. PMID:24932891

  15. Spheroid-based 3-dimensional culture models: Gene expression and functionality in head and neck cancer.

    PubMed

    Schmidt, Marianne; Scholz, Claus-Juergen; Polednik, Christine; Roller, Jeanette

    2016-04-01

    In the present study a panel of 12 head and neck cancer (HNSCC) cell lines were tested for spheroid formation. Since the size and morphology of spheroids is dependent on both cell adhesion and proliferation in the 3-dimensional (3D) context, morphology of HNSCC spheroids was related to expression of E-cadherin and the proliferation marker Ki67. In HNSCC cell lines the formation of tight regular spheroids was dependent on distinct E-cadherin expression levels in monolayer cultures, usually resulting in upregulation following aggregation into 3D structures. Cell lines expressing only low levels of E-cadherin in monolayers produced only loose cell clusters, frequently decreasing E-cadherin expression further upon aggregation. In these cell lines no epidermal growth factor receptor (EGFR) upregulation occurred and proliferation generally decreased in spheroids/aggregates independent of E-cadherin expression. In a second approach a global gene expression analysis of the larynx carcinoma cell line HLaC78 monolayer and the corresponding spheroids was performed. A global upregulation of gene expression in HLaC78 spheroids was related to genes involved in cell adhesion, cell junctions and cytochrome P450-mediated metabolism of xenobiotics. Downregulation was associated with genes controlling cell cycle, DNA-replication and DNA mismatch repair. Analyzing the expression of selected genes of each functional group in monolayer and spheroid cultures of all 12 cell lines revealed evidence for common gene expression shifts in genes controlling cell junctions, cell adhesion, cell cycle and DNA replication as well as genes involved in the cytochrome P450-mediated metabolism of xenobiotics. PMID:26797047

  16. Use of 3-Dimensional Volumetric Modeling of Adrenal Gland Size in Patients with Primary Pigmented Nodular Adrenocortical Disease.

    PubMed

    Chrysostomou, P P; Lodish, M B; Turkbey, E B; Papadakis, G Z; Stratakis, C A

    2016-04-01

    Primary pigmented nodular adrenocortical disease (PPNAD) is a rare type of bilateral adrenal hyperplasia leading to hypercortisolemia. Adrenal nodularity is often appreciable with computed tomography (CT); however, accurate radiologic characterization of adrenal size in PPNAD has not been studied well. We used 3-dimensional (3D) volumetric analysis to characterize and compare adrenal size in PPNAD patients, with and without Cushing's syndrome (CS). Patients diagnosed with PPNAD and their family members with known mutations in PRKAR1A were screened. CT scans were used to create 3D models of each adrenal. Criteria for biochemical diagnosis of CS included loss of diurnal variation and/or elevated midnight cortisol levels, and paradoxical increase in urinary free cortisol and/or urinary 17-hydroxysteroids after dexamethasone administration. Forty-five patients with PPNAD (24 females, 27.8±17.6 years) and 8 controls (19±3 years) were evaluated. 3D volumetric modeling of adrenal glands was performed in all. Thirty-eight patients out of 45 (84.4%) had CS. Their mean adrenal volume was 8.1 cc±4.1, 7.2 cc±4.5 (p=0.643) for non-CS, and 8.0cc±1.6 for controls. Mean values were corrected for body surface area; 4.7 cc/kg/m(2)±2.2 for CS, and 3.9 cc/kg/m(2)±1.3 for non-CS (p=0.189). Adrenal volume and midnight cortisol in both groups was positively correlated, r=0.35, p=0.03. We conclude that adrenal volume measured by 3D CT in patients with PPNAD and CS was similar to those without CS, confirming empirical CT imaging-based observations. However, the association between adrenal volume and midnight cortisol levels may be used as a marker of who among patients with PPNAD may develop CS, something that routine CT cannot do. PMID:27065461

  17. 3-Dimensional modelling of chick embryo eye development and growth using high resolution magnetic resonance imaging.

    PubMed

    Goodall, Nicola; Kisiswa, Lilian; Prashar, Ankush; Faulkner, Stuart; Tokarczuk, Paweł; Singh, Krish; Erichsen, Jonathan T; Guggenheim, Jez; Halfter, Willi; Wride, Michael A

    2009-10-01

    Magnetic resonance imaging (MRI) is a powerful tool for generating 3-dimensional structural and functional image data. MRI has already proven valuable in creating atlases of mouse and quail development. Here, we have exploited high resolution MRI to determine the parameters necessary to acquire images of the chick embryo eye. Using a 9.4 Tesla (400 MHz) high field ultra-shielded and refrigerated magnet (Bruker), MRI was carried out on paraformaldehyde-fixed chick embryos or heads at E4, E6, E8, and E10. Image data were processed using established and custom packages (MRICro, ImageJ, ParaVision, Bruker and mri3dX). Voxel dimensions ranged from 62.5 microm to 117.2 microm. We subsequently used the images obtained from the MRI data in order to make precise measurements of chick embryo eye surface area, volume and axial length from E4 to E10. MRI was validated for accurate sizing of ocular tissue features by direct comparison with previously published literature. Furthermore, we demonstrate the utility of high resolution MRI for making accurate measurements of morphological changes due to experimental manipulation of chick eye development, thereby facilitating a better understanding of the effects on chick embryo eye development and growth of such manipulations. Chondroitin sulphate or heparin were microinjected into the vitreous cavity of the right eyes of each of 3 embryos at E5. At E10, embryos were fixed and various eye parameters (volume, surface area, axial length and equatorial diameter) were determined using MRI and normalised with respect to the un-injected left eyes. Statistically significant alterations in eye volume (p < 0.05; increases with chondroitin sulphate and decreases with heparin) and changes in vitreous homogeneity were observed in embryos following microinjection of glycosaminoglycans. Furthermore, in the heparin-injected eyes, significant disturbances at the vitreo-retinal boundary were observed as well as retinal folding and detachment

  18. Hydroelectric structures studies using 3-dimensional methods

    SciTech Connect

    Harrell, T.R.; Jones, G.V.; Toner, C.K. )

    1989-01-01

    Deterioration and degradation of aged, hydroelectric project structures can significantly affect the operation and safety of a project. In many cases, hydroelectric headworks (in particular) have complicated geometrical configurations, loading patterns and hence, stress conditions. An accurate study of such structures can be performed using 3-dimensional computer models. 3-D computer models can be used for both stability evaluation and for finite element stress analysis. Computer aided engineering processes facilitate the use of 3-D methods in both pre-processing and post-processing of data. Two actual project examples are used to emphasize the authors' points.

  19. Numerical model of electromagnetic scattering off a subterranean 3-dimensional dielectric

    SciTech Connect

    Dease, C.G.; Didwall, E.M.

    1983-08-01

    As part of the effort to develop On-Site Inspection (OSI) techniques for verification of compliance to a Comprehensive Test Ban Treaty (CTBT), a computer code was developed to predict the interaction of an electromagnetic (EM) wave with an underground cavity. Results from the code were used to evaluate the use of surface electromagnetic exploration techniques for detection of underground cavities or rubble-filled regions characteristic of underground nuclear explosions.

  20. Development of a liquid jet model for implementation in a 3-dimensional Eularian analysis tool

    NASA Astrophysics Data System (ADS)

    Buschman, Francis X., III

    The ability to model the thermal behavior of a nuclear reactor is of utmost importance to the reactor designer. Condensation is an important phenomenon when modeling a reactor system's response to a Loss Of Coolant Accident (LOCA). Condensation is even more important with the use of passive safety systems which rely on condensation heat transfer for long term cooling. The increasing use of condensation heat transfer, including condensation on jets of water, in safety systems puts added pressure to correctly model this phenomenon with thermal-hydraulic system and sub-channel analysis codes. In this work, a stand alone module with which to simulate condensation on a liquid jet was developed and then implemented within a reactor vessel analysis code to improve that code's handling of jet condensation. It is shown that the developed liquid jet model vastly improves the ability of COBRA-TF to model condensation on turbulent liquid jets. The stand alone jet model and the coupled liquid jet COBRA-TF have been compared to experimental data. Jet condensation heat transfer experiments by Celata et al. with a variety of jet diameters, velocities, and subcooling were utilized to evaluate the models. A sensitivity study on the effects of noncondensables on jet condensation was also carried out using the stand alone jet model.

  1. Visualization of the 3-dimensional flow around a model with the aid of a laser knife

    NASA Technical Reports Server (NTRS)

    Borovoy, V. Y.; Ivanov, V. V.; Orlov, A. A.; Kharchenko, V. N.

    1984-01-01

    A method for visualizing the three-dimensional flow around models of various shapes in a wind tunnel at a Mach number of 5 is described. A laser provides a planar light flux such that any plane through the model can be selectively illuminated. The shape of shock waves and separation regions is then determined by the intensity of light scattered by soot particles in the flow.

  2. Remanent magnetization and 3-dimensional density model of the Kentucky anomaly region

    NASA Technical Reports Server (NTRS)

    Mayhew, M. A.; Estes, R. H.; Myers, D. M.

    1984-01-01

    A three-dimensional model of the Kentucky body was developed to fit surface gravity and long wavelength aeromagnetic data. Magnetization and density parameters for the model are much like those of Mayhew et al (1982). The magnetic anomaly due to the model at satellite altitude is shown to be much too small by itself to account for the anomaly measured by Magsat. It is demonstrated that the source region for the satellite anomaly is considerably more extensive than the Kentucky body sensu stricto. The extended source region is modeled first using prismatic model sources and then using dipole array sources. Magnetization directions for the source region found by inversion of various combinations of scalar and vector data are found to be close to the main field direction, implying the lack of a strong remanent component. It is shown by simulation that in a case (such as this) where the geometry of the source is known, if a strong remanent component is present its direction is readily detectable, but by scalar data as readily as vector data.

  3. Anthropogenic contamination of a phreatic drinking water winning: 3-dimensional reactive transport modelling

    NASA Astrophysics Data System (ADS)

    Griffioen, J.; van der Grift, B.; Maas, D.; van den Brink, C.; Zaadnoordijk, J. W.

    2003-04-01

    Groundwater is contaminated at the regional scale by agricultural activities and atmospheric deposition. A 3-D transport model was set-up for a phreatic drinking water winning, where the groundwater composition was monitored accurately. The winning is situated at an area with unconsolidated Pleistocene deposits. The land use is nature and agriculture. Annual mass-balances were determined using a wide range of historic data. The modelling approach for the unsaturated zone was either simple box models (Cl, NO_3 and SO_4) or 1-D transport modelling using HYDRUS (Cd). The modelling approach for the saturated zone used a multiple solute version of MT3D, where denitrification associated with pyrite oxidation and sorption of Cd were included. The solute transport calculations were performed for the period 1950--2030. The results obtained for the year 2000 were used as input concentration for the period 2000--2030. A comparison between the calculated and the measured concentrations of groundwater abstracted for Cl, NO_3 and SO_4 yields the following. First, the input at the surface is rather well estimated. Second, the redox reactivity of the first two aquifers is negligible around the winning, which is confirmed by respiration experiments using anaerobically sampled aquifer sediments. The reactivity of the third aquifer, which is a marine deposit and lies at least 30 meters below surface, is considerable. The discrepancies between modelled and measured output are explained by lack of knowledge about the subsurface reactivity and/or wrong estimates of surface loading and leaching from the unsaturated zone. The patterns for other hydrogeochemical variables such as Ca, HCO_3 may further constrain this lack of knowledge. The results for Cd indicate that Cd becomes strongly retarded, despite the low reactivity of the sandy sediments. The winning is rather insensitive to Cd contamination (but the surface water drainage network is not). Two major uncertainties for input of Cd

  4. Surgical treatment for congenital kyphosis correction using both spinal navigation and a 3-dimensional model.

    PubMed

    Sugimoto, Yoshihisa; Tanaka, Masato; Nakahara, Ryuichi; Misawa, Haruo; Kunisada, Toshiyuki; Ozaki, Toshifumi

    2012-01-01

    An 11 year-old girl had 66 degrees of kyphosis in the thoracolumbar junction. For the purpose of planning for kyphosis correction, we created a 3-D, full-scale model of the spine and consulted spinal navigation. Three-dimensional models are generally used as tactile guides to verify the surgical approach and portray the anatomic relations specific to a given patient. We performed posterior fusion from Th10 to L3, and vertebral column resection of Th12 and L1. Screw entry points, directions, lengths and diameters were determined by reference to navigation. Both tools were useful in the bone resection. We could easily detect the posterior element to be resected using the 3D model. During the anterior bony resection, navigation helped us to check the disc level and anterior wall of the vertebrae, which were otherwise difficult to detect due to their depth in the surgical field. Thus, the combination of navigation and 3D models helped us to safely perform surgery for a patient with complex spinal deformity. PMID:23254585

  5. A High Performance Pulsatile Pump for Aortic Flow Experiments in 3-Dimensional Models.

    PubMed

    Chaudhury, Rafeed A; Atlasman, Victor; Pathangey, Girish; Pracht, Nicholas; Adrian, Ronald J; Frakes, David H

    2016-06-01

    Aortic pathologies such as coarctation, dissection, and aneurysm represent a particularly emergent class of cardiovascular diseases. Computational simulations of aortic flows are growing increasingly important as tools for gaining understanding of these pathologies, as well as for planning their surgical repair. In vitro experiments are required to validate the simulations against real world data, and the experiments require a pulsatile flow pump system that can provide physiologic flow conditions characteristic of the aorta. We designed a newly capable piston-based pulsatile flow pump system that can generate high volume flow rates (850 mL/s), replicate physiologic waveforms, and pump high viscosity fluids against large impedances. The system is also compatible with a broad range of fluid types, and is operable in magnetic resonance imaging environments. Performance of the system was validated using image processing-based analysis of piston motion as well as particle image velocimetry. The new system represents a more capable pumping solution for aortic flow experiments than other available designs, and can be manufactured at a relatively low cost. PMID:26983961

  6. Observations and Modeling of 3-Dimensional Cloud and Aerosol Fields from the Multiangle SpectroPolarimetric Imager (MSPI)

    NASA Astrophysics Data System (ADS)

    Garay, M. J.; Diner, D. J.; Martonchik, J. V.; Davis, A. B.

    2011-12-01

    Knowledge of the detailed 3-dimensional structure of clouds and atmospheric aerosols is vital for correctly modeling their radiative effects and interpreting optical remote sensing measurements of scattered sunlight. We will describe a set of new observations made by the Multiangle SpectroPolarimetric Imager (MSPI) from the ground and from the NASA ER-2 aircraft. MSPI is being developed and tested at JPL as a payload for the preliminary Aerosol-Cloud-Ecosystems (PACE) satellite mission, which is expected to fly near the end of the decade. MSPI builds upon experience gained from the Multi-angle Imaging SpectroRadiometer (MISR) currently orbiting on NASA's Terra satellite. Ground-MSPI and Air-MSPI are two prototype cameras operating in the ultraviolet (UV) to the visible/near-infrared (VNIR) range mounted on gimbals that acquire imagery in a pushbroom fashion, including polarization in selected spectral bands with demonstrated high polarimetric accuracy (0.5% uncertainty in degree of linear polarization). The spatial resolution of Ground-MSPI is 1 m for objects at a distance of 3 km. From the operational altitude of the ER-2, Air-MSPI has a ground resolution of approximately 10 m at nadir. This resolution, coupled with good calibration and high polarimetric performance means that MSPI can be used to derive radiatively important parameters of aerosols and clouds using intensity and polarization information together. As part of the effort for developing retrieval algorithms for the instrument, we have employed an extremely flexible 3-dimensional vector radiative transfer code. We will show example imagery from both MSPI cameras and describe how these scenes are modeled using this code. We will also discuss some of the important unknowns and limitations of this observational approach.

  7. 3-DIMENSIONAL Geological Mapping and Modeling Activities at the Geological Survey of Norway

    NASA Astrophysics Data System (ADS)

    Jarna, A.; Bang-Kittilsen, A.; Haase, C.; Henderson, I. H. C.; Høgaas, F.; Iversen, S.; Seither, A.

    2015-10-01

    Geology and all geological structures are three-dimensional in space. Geology can be easily shown as four-dimensional when time is considered. Therefore GIS, databases, and 3D visualization software are common tools used by geoscientists to view, analyse, create models, interpret and communicate geological data. The NGU (Geological Survey of Norway) is the national institution for the study of bedrock, mineral resources, surficial deposits and groundwater and marine geology. The interest in 3D mapping and modelling has been reflected by the increase of number of groups and researches dealing with 3D in geology within NGU. This paper highlights 3D geological modelling techniques and the usage of these tools in bedrock, geophysics, urban and groundwater studies at NGU, same as visualisation of 3D online. The examples show use of a wide range of data, methods, software and an increased focus on interpretation and communication of geology in 3D. The goal is to gradually expand the geospatial data infrastructure to include 3D data at the same level as 2D.

  8. Evaluation of 3-Dimensional Superimposition Techniques on Various Skeletal Structures of the Head Using Surface Models

    PubMed Central

    Pazera, Pawel; Zorkun, Berna; Katsaros, Christos; Ludwig, Björn

    2015-01-01

    Objectives To test the applicability, accuracy, precision, and reproducibility of various 3D superimposition techniques for radiographic data, transformed to triangulated surface data. Methods Five superimposition techniques (3P: three-point registration; AC: anterior cranial base; AC + F: anterior cranial base + foramen magnum; BZ: both zygomatic arches; 1Z: one zygomatic arch) were tested using eight pairs of pre-existing CT data (pre- and post-treatment). These were obtained from non-growing orthodontic patients treated with rapid maxillary expansion. All datasets were superimposed by three operators independently, who repeated the whole procedure one month later. Accuracy was assessed by the distance (D) between superimposed datasets on three form-stable anatomical areas, located on the anterior cranial base and the foramen magnum. Precision and reproducibility were assessed using the distances between models at four specific landmarks. Non parametric multivariate models and Bland-Altman difference plots were used for analyses. Results There was no difference among operators or between time points on the accuracy of each superimposition technique (p>0.05). The AC + F technique was the most accurate (D<0.17 mm), as expected, followed by AC and BZ superimpositions that presented similar level of accuracy (D<0.5 mm). 3P and 1Z were the least accurate superimpositions (0.790.05), the detected structural changes differed significantly between different techniques (p<0.05). Bland-Altman difference plots showed that BZ superimposition was comparable to AC, though it presented slightly higher random error. Conclusions Superimposition of 3D datasets using surface models created from voxel data can provide accurate, precise, and reproducible results, offering also high efficiency and increased post-processing capabilities. In

  9. A 3-dimensional in vitro model of epithelioid granulomas induced by high aspect ratio nanomaterials

    PubMed Central

    2011-01-01

    Background The most common causes of granulomatous inflammation are persistent pathogens and poorly-degradable irritating materials. A characteristic pathological reaction to intratracheal instillation, pharyngeal aspiration, or inhalation of carbon nanotubes is formation of epithelioid granulomas accompanied by interstitial fibrosis in the lungs. In the mesothelium, a similar response is induced by high aspect ratio nanomaterials, including asbestos fibers, following intraperitoneal injection. This asbestos-like behaviour of some engineered nanomaterials is a concern for their potential adverse health effects in the lungs and mesothelium. We hypothesize that high aspect ratio nanomaterials will induce epithelioid granulomas in nonadherent macrophages in 3D cultures. Results Carbon black particles (Printex 90) and crocidolite asbestos fibers were used as well-characterized reference materials and compared with three commercial samples of multiwalled carbon nanotubes (MWCNTs). Doses were identified in 2D and 3D cultures in order to minimize acute toxicity and to reflect realistic occupational exposures in humans and in previous inhalation studies in rodents. Under serum-free conditions, exposure of nonadherent primary murine bone marrow-derived macrophages to 0.5 μg/ml (0.38 μg/cm2) of crocidolite asbestos fibers or MWCNTs, but not carbon black, induced macrophage differentiation into epithelioid cells and formation of stable aggregates with the characteristic morphology of granulomas. Formation of multinucleated giant cells was also induced by asbestos fibers or MWCNTs in this 3D in vitro model. After 7-14 days, macrophages exposed to high aspect ratio nanomaterials co-expressed proinflammatory (M1) as well as profibrotic (M2) phenotypic markers. Conclusions Induction of epithelioid granulomas appears to correlate with high aspect ratio and complex 3D structure of carbon nanotubes, not with their iron content or surface area. This model offers a time- and cost

  10. Verification and transfer of thermal pollution model. Volume 3: Verification of 3-dimensional rigid-lid model

    NASA Technical Reports Server (NTRS)

    Lee, S. S.; Sengupta, S.; Nwadike, E. V.; Sinha, S. K.

    1982-01-01

    The six-volume report: describes the theory of a three dimensional (3-D) mathematical thermal discharge model and a related one dimensional (1-D) model, includes model verification at two sites, and provides a separate user's manual for each model. The 3-D model has two forms: free surface and rigid lid. The former, verified at Anclote Anchorage (FL), allows a free air/water interface and is suited for significant surface wave heights compared to mean water depth; e.g., estuaries and coastal regions. The latter, verified at Lake Keowee (SC), is suited for small surface wave heights compared to depth (e.g., natural or man-made inland lakes) because surface elevation has been removed as a parameter. These models allow computation of time-dependent velocity and temperature fields for given initial conditions and time-varying boundary conditions. The free-surface model also provides surface height variations with time.

  11. Global simulation of canopy scale sun-induced chlorophyll fluorescence with a 3 dimensional radiative transfer model

    NASA Astrophysics Data System (ADS)

    Kobayashi, H.; Yang, W.; Ichii, K.

    2015-12-01

    Global simulation of canopy scale sun-induced chlorophyll fluorescence with a 3 dimensional radiative transfer modelHideki Kobayashi, Wei Yang, and Kazuhito IchiiDepartment of Environmental Geochemical Cycle Research, Japan Agency for Marine-Earth Science and Technology3173-25, Showa-machi, Kanazawa-ku, Yokohama, Japan.Plant canopy scale sun-induced chlorophyll fluorescence (SIF) can be observed from satellites, such as Greenhouse gases Observation Satellite (GOSAT), Orbiting Carbon Observatory-2 (OCO-2), and Global Ozone Monitoring Experiment-2 (GOME-2), using Fraunhofer lines in the near infrared spectral domain [1]. SIF is used to infer photosynthetic capacity of plant canopy [2]. However, it is not well understoond how the leaf-level SIF emission contributes to the top of canopy directional SIF because SIFs observed by the satellites use the near infrared spectral domain where the multiple scatterings among leaves are not negligible. It is necessary to quantify the fraction of emission for each satellite observation angle. Absorbed photosynthetically active radiation of sunlit leaves are 100 times higher than that of shaded leaves. Thus, contribution of sunlit and shaded leaves to canopy scale directional SIF emission should also be quantified. Here, we show the results of global simulation of SIF using a 3 dimensional radiative transfer simulation with MODIS atmospheric (aerosol optical thickness) and land (land cover and leaf area index) products and a forest landscape data sets prepared for each land cover category. The results are compared with satellite-based SIF (e.g. GOME-2) and the gross primary production empirically estimated by FLUXNET and remote sensing data.

  12. Solution of Poisson equations for 3-dimensional grid generations. [computations of a flow field over a thin delta wing

    NASA Technical Reports Server (NTRS)

    Fujii, K.

    1983-01-01

    A method for generating three dimensional, finite difference grids about complicated geometries by using Poisson equations is developed. The inhomogenous terms are automatically chosen such that orthogonality and spacing restrictions at the body surface are satisfied. Spherical variables are used to avoid the axis singularity, and an alternating-direction-implicit (ADI) solution scheme is used to accelerate the computations. Computed results are presented that show the capability of the method. Since most of the results presented have been used as grids for flow-field computations, this is indicative that the method is a useful tool for generating three-dimensional grids about complicated geometries.

  13. Verification and transfer of thermal pollution model. Volume 2: User's manual for 3-dimensional free-surface model

    NASA Technical Reports Server (NTRS)

    Lee, S. S.; Sengupta, S.; Tuann, S. Y.; Lee, C. R.

    1982-01-01

    The six-volume report: describes the theory of a three-dimensional (3-D) mathematical thermal discharge model and a related one-dimensional (1-D) model, includes model verification at two sites, and provides a separate user's manual for each model. The 3-D model has two forms: free surface and rigid lid. The former, verified at Anclote Anchorage (FL), allows a free air/water interface and is suited for significant surface wave heights compared to mean water depth; e.g., estuaries and coastal regions. The latter, verified at Lake Keowee (SC), is suited for small surface wave heights compared to depth. These models allow computation of time-dependent velocity and temperature fields for given initial conditions and time-varying boundary conditions.

  14. Effect of Heat-Inactivated Clostridium sporogenes and Its Conditioned Media on 3-Dimensional Colorectal Cancer Cell Models.

    PubMed

    Bhave, Madhura Satish; Hassanbhai, Ammar Mansoor; Anand, Padmaja; Luo, Kathy Qian; Teoh, Swee Hin

    2015-01-01

    Traditional cancer treatments, such as chemotherapy and radiation therapy continue to have limited efficacy due to tumor hypoxia. While bacterial cancer therapy has the potential to overcome this problem, it comes with the risk of toxicity and infection. To circumvent these issues, this paper investigates the anti-tumor effects of non-viable bacterial derivatives of Clostridium sporogenes. These non-viable derivatives are heat-inactivated C. sporogenes bacteria (IB) and the secreted bacterial proteins in culture media, known as conditioned media (CM). In this project, the effects of IB and CM on CT26 and HCT116 colorectal cancer cells were examined on a 2-Dimensional (2D) and 3-Dimensional (3D) platform. IB significantly inhibited cell proliferation of CT26 to 6.3% of the control in 72 hours for the 2D monolayer culture. In the 3D spheroid culture, cell proliferation of HCT116 spheroids notably dropped to 26.2%. Similarly the CM also remarkably reduced the cell-proliferation of the CT26 cells to 2.4% and 20% in the 2D and 3D models, respectively. Interestingly the effect of boiled conditioned media (BCM) on the cells in the 3D model was less inhibitory than that of CM. Thus, the inhibitive effect of inactivated C. sporogenes and its conditioned media on colorectal cancer cells is established. PMID:26507312

  15. Effect of Heat-Inactivated Clostridium sporogenes and Its Conditioned Media on 3-Dimensional Colorectal Cancer Cell Models

    PubMed Central

    Bhave, Madhura Satish; Hassanbhai, Ammar Mansoor; Anand, Padmaja; Luo, Kathy Qian; Teoh, Swee Hin

    2015-01-01

    Traditional cancer treatments, such as chemotherapy and radiation therapy continue to have limited efficacy due to tumor hypoxia. While bacterial cancer therapy has the potential to overcome this problem, it comes with the risk of toxicity and infection. To circumvent these issues, this paper investigates the anti-tumor effects of non-viable bacterial derivatives of Clostridium sporogenes. These non-viable derivatives are heat-inactivated C. sporogenes bacteria (IB) and the secreted bacterial proteins in culture media, known as conditioned media (CM). In this project, the effects of IB and CM on CT26 and HCT116 colorectal cancer cells were examined on a 2-Dimensional (2D) and 3-Dimensional (3D) platform. IB significantly inhibited cell proliferation of CT26 to 6.3% of the control in 72 hours for the 2D monolayer culture. In the 3D spheroid culture, cell proliferation of HCT116 spheroids notably dropped to 26.2%. Similarly the CM also remarkably reduced the cell-proliferation of the CT26 cells to 2.4% and 20% in the 2D and 3D models, respectively. Interestingly the effect of boiled conditioned media (BCM) on the cells in the 3D model was less inhibitory than that of CM. Thus, the inhibitive effect of inactivated C. sporogenes and its conditioned media on colorectal cancer cells is established. PMID:26507312

  16. 3-dimensional Modeling of Electromagnetic and Physical Sources of Aziumuthal Nonuniformities in Inductively Coupled Plasmas for Deposition

    NASA Astrophysics Data System (ADS)

    Lu, Junqing; Keiter, Eric R.; Kushner, Mark J.

    1998-10-01

    Inductively Coupled Plasmas (ICPs) are being used for a variety of deposition processes for microelectronics fabrication. Of particular concern in scaling these devices to large areas is maintaining azimuthal symmetry of the reactant fluxes. Sources of nonuniformity may be physical (e.g., gas injection and side pumping) or electromagnetic (e.g., transmission line effects in the antennas). In this paper, a 3-dimensional plasma equipment model, HPEM-3D,(M. J. Kushner, J. Appl. Phys. v.82, 5312 (1997).) is used to investigate physical and electromagentic sources of azimuthal nonuniformities in deposition tools. An ionized metal physical vapor deposition (IMPVD) system will be investigated where transmission line effects in the coils produce an asymmetric plasma density. Long mean free path transport for sputtered neutrals and tensor conducitivities have been added to HPEM-3D to address this system. Since the coil generated ion flux drifts back to the target to sputter low ionization potential metal atoms, the asymmetry is reinforced by rapid ionization of the metal atoms.

  17. Three-Dimensional Radiobiologic Dosimetry: Application of Radiobiologic Modeling to Patient-Specific 3-Dimensional Imaging–Based Internal Dosimetry

    PubMed Central

    Prideaux, Andrew R.; Song, Hong; Hobbs, Robert F.; He, Bin; Frey, Eric C.; Ladenson, Paul W.; Wahl, Richard L.; Sgouros, George

    2010-01-01

    Phantom-based and patient-specific imaging-based dosimetry methodologies have traditionally yielded mean organ-absorbed doses or spatial dose distributions over tumors and normal organs. In this work, radiobiologic modeling is introduced to convert the spatial distribution of absorbed dose into biologically effective dose and equivalent uniform dose parameters. The methodology is illustrated using data from a thyroid cancer patient treated with radioiodine. Methods Three registered SPECT/CT scans were used to generate 3-dimensional images of radionuclide kinetics (clearance rate) and cumulated activity. The cumulated activity image and corresponding CT scan were provided as input into an EGSnrc-based Monte Carlo calculation: The cumulated activity image was used to define the distribution of decays, and an attenuation image derived from CT was used to define the corresponding spatial tissue density and composition distribution. The rate images were used to convert the spatial absorbed dose distribution to a biologically effective dose distribution, which was then used to estimate a single equivalent uniform dose for segmented volumes of interest. Equivalent uniform dose was also calculated from the absorbed dose distribution directly. Results We validate the method using simple models; compare the dose-volume histogram with a previously analyzed clinical case; and give the mean absorbed dose, mean biologically effective dose, and equivalent uniform dose for an illustrative case of a pediatric thyroid cancer patient with diffuse lung metastases. The mean absorbed dose, mean biologically effective dose, and equivalent uniform dose for the tumor were 57.7, 58.5, and 25.0 Gy, respectively. Corresponding values for normal lung tissue were 9.5, 9.8, and 8.3 Gy, respectively. Conclusion The analysis demonstrates the impact of radiobiologic modeling on response prediction. The 57% reduction in the equivalent dose value for the tumor reflects a high level of dose

  18. Normal growth and development of the lips: a 3-dimensional study from 6 years to adulthood using a geometric model

    PubMed Central

    FERRARIO, VIRGILIO F.; SFORZA, CHIARELLA; SCHMITZ, JOHANNES H.; CIUSA, VERONICA; COLOMBO, ANNA

    2000-01-01

    A 3-dimensional computerised system with landmark representation of the soft-tissue facial surface allows noninvasive and fast quantitative study of facial growth. The aims of the present investigation were (1) to provide reference data for selected dimensions of lips (linear distances and ratios, vermilion area, volume); (2) to quantify the relevant growth changes; and (3) to evaluate sex differences in growth patterns. The 3-dimensional coordinates of 6 soft-tissue landmarks on the lips were obtained by an optoelectronic instrument in a mixed longitudinal and cross-sectional study (2023 examinations in 1348 healthy subjects between 6 y of age and young adulthood). From the landmarks, several linear distances (mouth width, total vermilion height, total lip height, upper lip height), the vermilion height-to-mouth width ratio, some areas (vermilion of the upper lip, vermilion of the lower lip, total vermilion) and volumes (upper lip volume, lower lip volume, total lip volume) were calculated and averaged for age and sex. Male values were compared with female values by means of Student's t test. Within each age group all lip dimensions (distances, areas, volumes) were significantly larger in boys than in girls (P < 0.05), with some exceptions in the first age groups and coinciding with the earlier female growth spurt, whereas the vermilion height-to-mouth width ratio did not show a corresponding sexual dimorphism. Linear distances in girls had almost reached adult dimensions in the 13–14 y age group, while in boys a large increase was still to occur. The attainment of adult dimensions was faster in the upper than in the lower lip, especially in girls. The method used in the present investigation allowed the noninvasive evaluation of a large sample of nonpatient subjects, leading to the definition of 3-dimensional normative data. Data collected in the present study could represent a data base for the quantitative description of human lip morphology from childhood to

  19. The use of TOUGH2 for the LBL/USGS 3-dimensional site-scale model of Yucca Mountain, Nevada

    SciTech Connect

    Bodvarsson, G.; Chen, G.; Haukwa, C.; Kwicklis, E.

    1995-12-31

    The three-dimensional site-scale numerical model o the unsaturated zone at Yucca Mountain is under continuous development and calibration through a collaborative effort between Lawrence Berkeley Laboratory (LBL) and the United States Geological Survey (USGS). The site-scale model covers an area of about 30 km{sup 2} and is bounded by major fault zones to the west (Solitario Canyon Fault), east (Bow Ridge Fault) and perhaps to the north by an unconfirmed fault (Yucca Wash Fault). The model consists of about 5,000 grid blocks (elements) with nearly 20,000 connections between them; the grid was designed to represent the most prevalent geological and hydro-geological features of the site including major faults, and layering and bedding of the hydro-geological units. Submodels are used to investigate specific hypotheses and their importance before incorporation into the three-dimensional site-scale model. The primary objectives of the three-dimensional site-scale model are to: (1) quantify moisture, gas and heat flows in the ambient conditions at Yucca Mountain, (2) help in guiding the site-characterization effort (primarily by USGS) in terms of additional data needs and to identify regions of the mountain where sufficient data have been collected, and (3) provide a reliable model of Yucca Mountain that is validated by repeated predictions of conditions in new boreboles and the ESF and has therefore the confidence of the public and scientific community. The computer code TOUGH2 developed by K. Pruess at LBL was used along with the three-dimensional site-scale model to generate these results. In this paper, we also describe the three-dimensional site-scale model emphasizing the numerical grid development, and then show some results in terms of moisture, gas and heat flow.

  20. 3-dimensional magnetotelluric inversion including topography using deformed hexahedral edge finite elements and direct solvers parallelized on symmetric multiprocessor computers - Part II: direct data-space inverse solution

    NASA Astrophysics Data System (ADS)

    Kordy, M.; Wannamaker, P.; Maris, V.; Cherkaev, E.; Hill, G.

    2016-01-01

    Following the creation described in Part I of a deformable edge finite-element simulator for 3-D magnetotelluric (MT) responses using direct solvers, in Part II we develop an algorithm named HexMT for 3-D regularized inversion of MT data including topography. Direct solvers parallelized on large-RAM, symmetric multiprocessor (SMP) workstations are used also for the Gauss-Newton model update. By exploiting the data-space approach, the computational cost of the model update becomes much less in both time and computer memory than the cost of the forward simulation. In order to regularize using the second norm of the gradient, we factor the matrix related to the regularization term and apply its inverse to the Jacobian, which is done using the MKL PARDISO library. For dense matrix multiplication and factorization related to the model update, we use the PLASMA library which shows very good scalability across processor cores. A synthetic test inversion using a simple hill model shows that including topography can be important; in this case depression of the electric field by the hill can cause false conductors at depth or mask the presence of resistive structure. With a simple model of two buried bricks, a uniform spatial weighting for the norm of model smoothing recovered more accurate locations for the tomographic images compared to weightings which were a function of parameter Jacobians. We implement joint inversion for static distortion matrices tested using the Dublin secret model 2, for which we are able to reduce nRMS to ˜1.1 while avoiding oscillatory convergence. Finally we test the code on field data by inverting full impedance and tipper MT responses collected around Mount St Helens in the Cascade volcanic chain. Among several prominent structures, the north-south trending, eruption-controlling shear zone is clearly imaged in the inversion.

  1. A 3-dimensional ray-trace model for predicting the performance of flashlamp-pumped laser amplifiers

    SciTech Connect

    Jancaitis, K.S.; Haney, S.W.; Munro, D.H.; Le Touze, G.; Cabourdin, O.

    1997-02-13

    We have developed a fully three-dimensional model for the performance of flashlamp pumped laser amplifiers. The model uses a reverse ray-trace technique to calculate the pumping of the laser glass by the flashlamp radiation. We have discovered several different methods by which we can speed up the calculation of the gain profile in a amplifier. The model predicts the energy-storage performance of the Beamlet amplifiers to better than 5%. This model will be used in the optimization of the National Ignition Facility (NIF) amplifier design.

  2. Transcriptional profiling of radiation damage and preventive treatments in a 3-dimensional (3D) human cell culture model of oral mucositis

    PubMed Central

    Lambros, Maria P.; DeSalvo, Michael K.; Moreno, Jonathan; Mulamalla, Hari Chandana; Kondapalli, Lavanya

    2015-01-01

    Cancer patients who receive radiation are often afflicted by oral mucositis, a debilitating disease, characterized by mouth sores and difficulty in swallowing. Oftentimes, cancer patients afflicted with mucositis must stop life-saving therapies. Thus it is very important to prevent mucositis before it develops. Using a validated organotypic model of human oral mucosa, a 3-dimensional cell culture model of human oral keratinocytes, it has been shown that a mixture (NAC–QYD) of N-acetyl cysteine (NAC) and a traditional Chinese medicine, Qingre Liyan decoction (QYD), prevented radiation damage (Lambros et al., 2014). Here we provide detailed methods and analysis of microarray data for non-irradiated and irradiated human oral mucosal tissue with and without pretreatment with NAC, QYD and NAC-QYD. The microarray data been deposited in Gene Expression Omnibus (GEO): GSE62397. These data can be used to further elucidate the mechanisms of irradiation damage in oral mucosa and its prevention. PMID:26697327

  3. Transcriptional profiling of radiation damage and preventive treatments in a 3-dimensional (3D) human cell culture model of oral mucositis.

    PubMed

    Lambros, Maria P; DeSalvo, Michael K; Moreno, Jonathan; Mulamalla, Hari Chandana; Kondapalli, Lavanya

    2015-12-01

    Cancer patients who receive radiation are often afflicted by oral mucositis, a debilitating disease, characterized by mouth sores and difficulty in swallowing. Oftentimes, cancer patients afflicted with mucositis must stop life-saving therapies. Thus it is very important to prevent mucositis before it develops. Using a validated organotypic model of human oral mucosa, a 3-dimensional cell culture model of human oral keratinocytes, it has been shown that a mixture (NAC-QYD) of N-acetyl cysteine (NAC) and a traditional Chinese medicine, Qingre Liyan decoction (QYD), prevented radiation damage (Lambros et al., 2014). Here we provide detailed methods and analysis of microarray data for non-irradiated and irradiated human oral mucosal tissue with and without pretreatment with NAC, QYD and NAC-QYD. The microarray data been deposited in Gene Expression Omnibus (GEO): GSE62397. These data can be used to further elucidate the mechanisms of irradiation damage in oral mucosa and its prevention. PMID:26697327

  4. 3DHYDROGEOCHEM: A 3-DIMENSIONAL MODEL OF DENSITY-DEPENDENT SUBSURFACE FLOW AND THERMAL MULTISPECIES-MULTICOMPONENT HYDROGEOCHEMICAL TRANSPORT

    EPA Science Inventory

    This report presents a three-dimensional finite-element numerical model designed to simulate chemical transport in subsurface systems with temperature effect taken into account. The three-dimensional model is developed to provide (1) a tool of application, with which one is able...

  5. Computation of synthetic seismograms in a 3 dimensional Earth and inversion of eigenfrequency and Q quality factor datasets of normal modes

    NASA Astrophysics Data System (ADS)

    Roch, Julien; Clevede, Eric; Roult, Genevieve

    2010-05-01

    The 26 December 2004 Sumatra-Andaman event is the third biggest earthquake that has never been recorded but the first recorded with high quality broad-band seismometers. Such an earthquake offered a good opportunity for studying the normal modes of the Earth and particularly the gravest ones (frequency lower than 1 mHz) which provide important information on deep Earth. The splitting of some modes has been carefully analyzed. The eigenfrequencies and the Q quality factors of particular singlets have been retrieved with an unprecedented precision. In some cases, the eigenfrequencies of some singlets exhibit a clear shift when compared to the theoretical eigenfrequencies. Some core modes such as the 3S2 mode present an anomalous splitting, that is to say, a splitting width much larger than the expected one. Such anomalous splitting is presently admitted to be due to the existence of lateral heterogeneities in the inner core. We need an accurate model of the whole Earth and a method to compute synthetic seismograms in order to compare synthetic and observed data and to explain the behavior of such modes. Synthetic seismograms are computed by normal modes summation using a perturbative method developed up to second order in amplitude and up to third order in frequency (HOPT method). The last step consists in inverting both eigenfrequency and Q quality factor datasets in order to better constrain the deep Earth structure and especially the inner core. In order to find models of acceptable data fit in a multidimensional parameter space, we use the neighborhood algorithm method which is a derivative-free search method. It is particularly well adapted in our case (non linear problem) and is easy to tune with only 2 parameters. Our purpose is to find an ensemble of models that fit the data rather than a unique model.

  6. Direct measurement of the 3-dimensional DNA lesion distribution induced by energetic charged particles in a mouse model tissue.

    PubMed

    Mirsch, Johanna; Tommasino, Francesco; Frohns, Antonia; Conrad, Sandro; Durante, Marco; Scholz, Michael; Friedrich, Thomas; Löbrich, Markus

    2015-10-01

    Charged particles are increasingly used in cancer radiotherapy and contribute significantly to the natural radiation risk. The difference in the biological effects of high-energy charged particles compared with X-rays or γ-rays is determined largely by the spatial distribution of their energy deposition events. Part of the energy is deposited in a densely ionizing manner in the inner part of the track, with the remainder spread out more sparsely over the outer track region. Our knowledge about the dose distribution is derived solely from modeling approaches and physical measurements in inorganic material. Here we exploited the exceptional sensitivity of γH2AX foci technology and quantified the spatial distribution of DNA lesions induced by charged particles in a mouse model tissue. We observed that charged particles damage tissue nonhomogenously, with single cells receiving high doses and many other cells exposed to isolated damage resulting from high-energy secondary electrons. Using calibration experiments, we transformed the 3D lesion distribution into a dose distribution and compared it with predictions from modeling approaches. We obtained a radial dose distribution with sub-micrometer resolution that decreased with increasing distance to the particle path following a 1/r2 dependency. The analysis further revealed the existence of a background dose at larger distances from the particle path arising from overlapping dose deposition events from independent particles. Our study provides, to our knowledge, the first quantification of the spatial dose distribution of charged particles in biologically relevant material, and will serve as a benchmark for biophysical models that predict the biological effects of these particles. PMID:26392532

  7. Direct measurement of the 3-dimensional DNA lesion distribution induced by energetic charged particles in a mouse model tissue

    PubMed Central

    Mirsch, Johanna; Tommasino, Francesco; Frohns, Antonia; Conrad, Sandro; Durante, Marco; Scholz, Michael; Friedrich, Thomas; Löbrich, Markus

    2015-01-01

    Charged particles are increasingly used in cancer radiotherapy and contribute significantly to the natural radiation risk. The difference in the biological effects of high-energy charged particles compared with X-rays or γ-rays is determined largely by the spatial distribution of their energy deposition events. Part of the energy is deposited in a densely ionizing manner in the inner part of the track, with the remainder spread out more sparsely over the outer track region. Our knowledge about the dose distribution is derived solely from modeling approaches and physical measurements in inorganic material. Here we exploited the exceptional sensitivity of γH2AX foci technology and quantified the spatial distribution of DNA lesions induced by charged particles in a mouse model tissue. We observed that charged particles damage tissue nonhomogenously, with single cells receiving high doses and many other cells exposed to isolated damage resulting from high-energy secondary electrons. Using calibration experiments, we transformed the 3D lesion distribution into a dose distribution and compared it with predictions from modeling approaches. We obtained a radial dose distribution with sub-micrometer resolution that decreased with increasing distance to the particle path following a 1/r2 dependency. The analysis further revealed the existence of a background dose at larger distances from the particle path arising from overlapping dose deposition events from independent particles. Our study provides, to our knowledge, the first quantification of the spatial dose distribution of charged particles in biologically relevant material, and will serve as a benchmark for biophysical models that predict the biological effects of these particles. PMID:26392532

  8. New 3-dimensional CFD modeling of CO2 and H2S simultaneous stripping from water within PVDF hollow fiber membrane contactor

    NASA Astrophysics Data System (ADS)

    Bahlake, Ahmad; Farivar, Foad; Dabir, Bahram

    2016-07-01

    In this paper a 3-dimensional modeling of simultaneous stripping of carbon dioxide (CO2) and hydrogen sulfide (H2S) from water using hollow fiber membrane made of polyvinylidene fluoride is developed. The water, containing CO2 and H2S enters to the membrane as feed. At the same time, pure nitrogen flow in the shell side of a shell and tube hollow fiber as the solvent. In the previous methods of modeling hollow fiber membranes just one of the membranes was modeled and the results expand to whole shell and tube system. In this research the whole hollow fiber shell and tube module is modeled to reduce the errors. Simulation results showed that increasing the velocity of solvent flow and decreasing the velocity of the feed are leads to increase in the system yield. However the effect of the feed velocity on the process is likely more than the influence of changing the velocity of the gaseous solvent. In addition H2S stripping has higher yield in comparison with CO2 stripping. This model is compared to the previous modeling methods and shows that the new model is more accurate. Finally, the effect of feed temperature is studied using response surface method and the operating conditions of feed temperature, feed velocity, and solvent velocity is optimized according to synergistic effects. Simulation results show that, in the optimum operating conditions the removal percentage of H2S and CO2 are 27 and 21 % respectively.

  9. New 3-dimensional CFD modeling of CO2 and H2S simultaneous stripping from water within PVDF hollow fiber membrane contactor

    NASA Astrophysics Data System (ADS)

    Bahlake, Ahmad; Farivar, Foad; Dabir, Bahram

    2015-08-01

    In this paper a 3-dimensional modeling of simultaneous stripping of carbon dioxide (CO2) and hydrogen sulfide (H2S) from water using hollow fiber membrane made of polyvinylidene fluoride is developed. The water, containing CO2 and H2S enters to the membrane as feed. At the same time, pure nitrogen flow in the shell side of a shell and tube hollow fiber as the solvent. In the previous methods of modeling hollow fiber membranes just one of the membranes was modeled and the results expand to whole shell and tube system. In this research the whole hollow fiber shell and tube module is modeled to reduce the errors. Simulation results showed that increasing the velocity of solvent flow and decreasing the velocity of the feed are leads to increase in the system yield. However the effect of the feed velocity on the process is likely more than the influence of changing the velocity of the gaseous solvent. In addition H2S stripping has higher yield in comparison with CO2 stripping. This model is compared to the previous modeling methods and shows that the new model is more accurate. Finally, the effect of feed temperature is studied using response surface method and the operating conditions of feed temperature, feed velocity, and solvent velocity is optimized according to synergistic effects. Simulation results show that, in the optimum operating conditions the removal percentage of H2S and CO2 are 27 and 21 % respectively.

  10. Pediatric Computational Models

    NASA Astrophysics Data System (ADS)

    Soni, Bharat K.; Kim, Jong-Eun; Ito, Yasushi; Wagner, Christina D.; Yang, King-Hay

    A computational model is a computer program that attempts to simulate a behavior of a complex system by solving mathematical equations associated with principles and laws of physics. Computational models can be used to predict the body's response to injury-producing conditions that cannot be simulated experimentally or measured in surrogate/animal experiments. Computational modeling also provides means by which valid experimental animal and cadaveric data can be extrapolated to a living person. Widely used computational models for injury biomechanics include multibody dynamics and finite element (FE) models. Both multibody and FE methods have been used extensively to study adult impact biomechanics in the past couple of decades.

  11. 3-dimensional geometric modeling and parameter estimation of scoria cones of the San Francisco Volcanic Field, Arizona, USA

    NASA Astrophysics Data System (ADS)

    Király, E.; Székely, B.; Bata, T.; Lócsi, L.; Karátson, D.

    2009-04-01

    The almost global availability of medium- and high-resolution Digital Terrain Models (DTMs) paved the way of new approaches in volcanic geomorphology. The increasing importance of understanding of surface processes that act during the degradation of volcanic edifices also mean a demand for geometric modeling of their surface, in order to derive parameters from the topography that are suitable for further analysis. Our study area, the San Francisco Volcanic Field (SFVF), is a ca. 4500 km2-large volcanic region situated around the San Francisco stratovolcano at Flagstaff, Arizona (USA) that hosts some 600 scoria and lava domes, numerous lava flows with extensive volcanic ash deposits. Because of the wide range in size and age, as well as contrasting degradation of these volcanic features, several authors have analysed them in the last decades to derive general rules of their lowering. Morphometric parameters were determined that were expected to be suitable to fulfill this requirement. In his pioneering work, Wood (1980a,b) considered 40 scoria cones, while almost two decades later Hooper and Sheridan (1998) included 237 features in their study. Their manual morphometric analyses were based on topographic maps that are time consuming, therefore their limited scope can now be extended with the availability of digital data. In the initial phase of our project more than 300 cones were analysed using the classic approach (height of the cone, width of the cone and crater, etc.). Additionally the slope histogram were analysed in order to classify the cones into different evolutionary categories. These analyses led to the selection of a few volcanoes, that entered in the next processing phase. Firstly the derivation of parameters in two-dimensional approach were carried out. Horizontal and vertical cross sections were extracted from the DTM, and the resulting planar curves were analysed via parameter estimation. The horizontal planar outlines were approached with circles

  12. Catastrophic regime shifts in coral communities exposed to physical disturbances: simulation results from object-oriented 3-dimensional coral reef model.

    PubMed

    Tam, Tze-wai; Ang, Put O

    2009-07-21

    A 3-dimensional individual-based model, the ReefModel, was developed to simulate the dynamical structure of coral reef community using object-oriented techniques. Interactions among functional groups of reef organisms were simulated in the model. The behaviours of these organisms were described with simple mechanistic rules that were derived from their general behaviours (e.g. growing habits, competitive mechanisms, response to physical disturbance) observed in natural coral reef communities. The model was implemented to explore the effects of physical disturbance on the dynamical structure of a 3-coral community that was characterized with three functional coral groups: tabular coral, foliaceous coral and massive coral. Simulation results suggest that (i) the integration of physical disturbance and differential responses (disturbance sensitivity and growing habit) of corals plays an important role in structuring coral communities; (ii) diversity of coral communities can be maximal under intermediate level of acute physical disturbance; (iii) multimodality exists in the final states and dynamic regimes of individual coral group as well as coral community structure, which results from the influence of small random spatial events occurring during the interactions among the corals in the community, under acute and repeated physical disturbances. These results suggest that alternative stable states and catastrophic regime shifts may exist in a coral community under unstable physical environment. PMID:19306887

  13. Computational Modeling of Tires

    NASA Technical Reports Server (NTRS)

    Noor, Ahmed K. (Compiler); Tanner, John A. (Compiler)

    1995-01-01

    This document contains presentations and discussions from the joint UVA/NASA Workshop on Computational Modeling of Tires. The workshop attendees represented NASA, the Army and Air force, tire companies, commercial software developers, and academia. The workshop objectives were to assess the state of technology in the computational modeling of tires and to provide guidelines for future research.

  14. Application of 3-dimensional printing in hand surgery for production of a novel bone reduction clamp.

    PubMed

    Fuller, Sam M; Butz, Daniel R; Vevang, Curt B; Makhlouf, Mansour V

    2014-09-01

    Three-dimensional printing is being rapidly incorporated in the medical field to produce external prosthetics for improved cosmesis and fabricated molds to aid in presurgical planning. Biomedically engineered products from 3-dimensional printers are also utilized as implantable devices for knee arthroplasty, airway orthoses, and other surgical procedures. Although at first expensive and conceptually difficult to construct, 3-dimensional printing is now becoming more affordable and widely accessible. In hand surgery, like many other specialties, new or customized instruments would be desirable; however, the overall production cost restricts their development. We are presenting our step-by-step experience in creating a bone reduction clamp for finger fractures using 3-dimensional printing technology. Using free, downloadable software, a 3-dimensional model of a bone reduction clamp for hand fractures was created based on the senior author's (M.V.M.) specific design, previous experience, and preferences for fracture fixation. Once deemed satisfactory, the computer files were sent to a 3-dimensional printing company for the production of the prototypes. Multiple plastic prototypes were made and adjusted, affording a fast, low-cost working model of the proposed clamp. Once a workable design was obtained, a printing company produced the surgical clamp prototype directly from the 3-dimensional model represented in the computer files. This prototype was used in the operating room, meeting the expectations of the surgeon. Three-dimensional printing is affordable and offers the benefits of reducing production time and nurturing innovations in hand surgery. This article presents a step-by-step description of our design process using online software programs and 3-dimensional printing services. As medical technology advances, it is important that hand surgeons remain aware of available resources, are knowledgeable about how the process works, and are able to take advantage of

  15. Computer Models of Proteins

    NASA Technical Reports Server (NTRS)

    2000-01-01

    Dr. Marc Pusey (seated) and Dr. Craig Kundrot use computers to analyze x-ray maps and generate three-dimensional models of protein structures. With this information, scientists at Marshall Space Flight Center can learn how proteins are made and how they work. The computer screen depicts a proten structure as a ball-and-stick model. Other models depict the actual volume occupied by the atoms, or the ribbon-like structures that are crucial to a protein's function.

  16. Cardiothoracic Applications of 3-dimensional Printing.

    PubMed

    Giannopoulos, Andreas A; Steigner, Michael L; George, Elizabeth; Barile, Maria; Hunsaker, Andetta R; Rybicki, Frank J; Mitsouras, Dimitris

    2016-09-01

    Medical 3-dimensional (3D) printing is emerging as a clinically relevant imaging tool in directing preoperative and intraoperative planning in many surgical specialties and will therefore likely lead to interdisciplinary collaboration between engineers, radiologists, and surgeons. Data from standard imaging modalities such as computed tomography, magnetic resonance imaging, echocardiography, and rotational angiography can be used to fabricate life-sized models of human anatomy and pathology, as well as patient-specific implants and surgical guides. Cardiovascular 3D-printed models can improve diagnosis and allow for advanced preoperative planning. The majority of applications reported involve congenital heart diseases and valvular and great vessels pathologies. Printed models are suitable for planning both surgical and minimally invasive procedures. Added value has been reported toward improving outcomes, minimizing perioperative risk, and developing new procedures such as transcatheter mitral valve replacements. Similarly, thoracic surgeons are using 3D printing to assess invasion of vital structures by tumors and to assist in diagnosis and treatment of upper and lower airway diseases. Anatomic models enable surgeons to assimilate information more quickly than image review, choose the optimal surgical approach, and achieve surgery in a shorter time. Patient-specific 3D-printed implants are beginning to appear and may have significant impact on cosmetic and life-saving procedures in the future. In summary, cardiothoracic 3D printing is rapidly evolving and may be a potential game-changer for surgeons. The imager who is equipped with the tools to apply this new imaging science to cardiothoracic care is thus ideally positioned to innovate in this new emerging imaging modality. PMID:27149367

  17. General design method for 3-dimensional, potential flow fields. Part 2: Computer program DIN3D1 for simple, unbranched ducts

    NASA Technical Reports Server (NTRS)

    Stanitz, J. D.

    1985-01-01

    The general design method for three-dimensional, potential, incompressible or subsonic-compressible flow developed in part 1 of this report is applied to the design of simple, unbranched ducts. A computer program, DIN3D1, is developed and five numerical examples are presented: a nozzle, two elbows, an S-duct, and the preliminary design of a side inlet for turbomachines. The two major inputs to the program are the upstream boundary shape and the lateral velocity distribution on the duct wall. As a result of these inputs, boundary conditions are overprescribed and the problem is ill posed. However, it appears that there are degrees of compatibility between these two major inputs and that, for reasonably compatible inputs, satisfactory solutions can be obtained. By not prescribing the shape of the upstream boundary, the problem presumably becomes well posed, but it is not clear how to formulate a practical design method under this circumstance. Nor does it appear desirable, because the designer usually needs to retain control over the upstream (or downstream) boundary shape. The problem is further complicated by the fact that, unlike the two-dimensional case, and irrespective of the upstream boundary shape, some prescribed lateral velocity distributions do not have proper solutions.

  18. Evaluation of the middle cerebral artery occlusion techniques in the rat by in-vitro 3-dimensional micro- and nano computed tomography

    PubMed Central

    2010-01-01

    Background Animal models of focal cerebral ischemia are widely used in stroke research. The purpose of our study was to evaluate and compare the cerebral macro- and microvascular architecture of rats in two different models of permanent middle cerebral artery occlusion using an innovative quantitative micro- and nano-CT imaging technique. Methods 4h of middle cerebral artery occlusion was performed in rats using the macrosphere method or the suture technique. After contrast perfusion, brains were isolated and scanned en-bloc using micro-CT (8 μm)3 or nano-CT at 500 nm3 voxel size to generate 3D images of the cerebral vasculature. The arterial vascular volume fraction and gray scale attenuation was determined and the significance of differences in measurements was tested with analysis of variance [ANOVA]. Results Micro-CT provided quantitative information on vascular morphology. Micro- and nano-CT proved to visualize and differentiate vascular occlusion territories performed in both models of cerebral ischemia. The suture technique leads to a remarkable decrease in the intravascular volume fraction of the middle cerebral artery perfusion territory. Blocking the medial cerebral artery with macrospheres, the vascular volume fraction of the involved hemisphere decreased significantly (p < 0.001), independently of the number of macrospheres, and was comparable to the suture method. We established gray scale measurements by which focal cerebral ischemia could be radiographically categorized (p < 0.001). Nano-CT imaging demonstrates collateral perfusion related to different occluded vessel territories after macrosphere perfusion. Conclusion Micro- and Nano-CT imaging is feasible for analysis and differentiation of different models of focal cerebral ischemia in rats. PMID:20509884

  19. Computer Modeling and Simulation

    SciTech Connect

    Pronskikh, V. S.

    2014-05-09

    Verification and validation of computer codes and models used in simulation are two aspects of the scientific practice of high importance and have recently been discussed by philosophers of science. While verification is predominantly associated with the correctness of the way a model is represented by a computer code or algorithm, validation more often refers to model’s relation to the real world and its intended use. It has been argued that because complex simulations are generally not transparent to a practitioner, the Duhem problem can arise for verification and validation due to their entanglement; such an entanglement makes it impossible to distinguish whether a coding error or model’s general inadequacy to its target should be blamed in the case of the model failure. I argue that in order to disentangle verification and validation, a clear distinction between computer modeling (construction of mathematical computer models of elementary processes) and simulation (construction of models of composite objects and processes by means of numerical experimenting with them) needs to be made. Holding on to that distinction, I propose to relate verification (based on theoretical strategies such as inferences) to modeling and validation, which shares the common epistemology with experimentation, to simulation. To explain reasons of their intermittent entanglement I propose a weberian ideal-typical model of modeling and simulation as roles in practice. I suggest an approach to alleviate the Duhem problem for verification and validation generally applicable in practice and based on differences in epistemic strategies and scopes

  20. 3-dimensional Oil Drift Simulations

    NASA Astrophysics Data System (ADS)

    Wettre, C.; Reistad, M.; Hjøllo, B.Å.

    Simulation of oil drift has been an ongoing activity at the Norwegian Meteorological Institute since the 1970's. The Marine Forecasting Centre provides a 24-hour service for the Norwegian Pollution Control Authority and the oil companies operating in the Norwegian sector. The response time is 30 minutes. From 2002 the service is extended to simulation of oil drift from oil spills in deep water, using the DeepBlow model developed by SINTEF Applied Chemistry. The oil drift model can be applied both for instantaneous and continuous releases. The changes in the mass of oil and emulsion as a result of evaporation and emulsion are computed. For oil spill at deep water, hydrate formation and gas dissolution are taken into account. The properties of the oil depend on the oil type, and in the present version 64 different types of oil can be simulated. For accurate oil drift simulations it is important to have the best possible data on the atmospheric and oceanic conditions. The oil drift simulations at the Norwegian Meteorological Institute are always based on the most updated data from numerical models of the atmosphere and the ocean. The drift of the surface oil is computed from the vectorial sum of the surface current from the ocean model and the wave induced Stokes drift computed from wave energy spectra from the wave prediction model. In the new model the current distribution with depth is taken into account when calculating the drift of the dispersed oil droplets. Salinity and temperature profiles from the ocean model are needed in the DeepBlow model. The result of the oil drift simulations can be plotted on sea charts used for navigation, either as trajectory plots or particle plots showing the situation at a given time. The results can also be sent as data files to be included in the user's own GIS system.

  1. CMS computing model evolution

    NASA Astrophysics Data System (ADS)

    Grandi, C.; Bonacorsi, D.; Colling, D.; Fisk, I.; Girone, M.

    2014-06-01

    The CMS Computing Model was developed and documented in 2004. Since then the model has evolved to be more flexible and to take advantage of new techniques, but many of the original concepts remain and are in active use. In this presentation we will discuss the changes planned for the restart of the LHC program in 2015. We will discuss the changes planning in the use and definition of the computing tiers that were defined with the MONARC project. We will present how we intend to use new services and infrastructure to provide more efficient and transparent access to the data. We will discuss the computing plans to make better use of the computing capacity by scheduling more of the processor nodes, making better use of the disk storage, and more intelligent use of the networking.

  2. Computationally modeling interpersonal trust

    PubMed Central

    Lee, Jin Joo; Knox, W. Bradley; Wormwood, Jolie B.; Breazeal, Cynthia; DeSteno, David

    2013-01-01

    We present a computational model capable of predicting—above human accuracy—the degree of trust a person has toward their novel partner by observing the trust-related nonverbal cues expressed in their social interaction. We summarize our prior work, in which we identify nonverbal cues that signal untrustworthy behavior and also demonstrate the human mind's readiness to interpret those cues to assess the trustworthiness of a social robot. We demonstrate that domain knowledge gained from our prior work using human-subjects experiments, when incorporated into the feature engineering process, permits a computational model to outperform both human predictions and a baseline model built in naiveté of this domain knowledge. We then present the construction of hidden Markov models to investigate temporal relationships among the trust-related nonverbal cues. By interpreting the resulting learned structure, we observe that models built to emulate different levels of trust exhibit different sequences of nonverbal cues. From this observation, we derived sequence-based temporal features that further improve the accuracy of our computational model. Our multi-step research process presented in this paper combines the strength of experimental manipulation and machine learning to not only design a computational trust model but also to further our understanding of the dynamics of interpersonal trust. PMID:24363649

  3. Numerical Simulation of Boiling Two-Phase Flow in Tight-Lattice Rod Bundle by 3-Dimensional Two-Fluid Model Code ACE-3D

    NASA Astrophysics Data System (ADS)

    Yoshida, Hiroyuki; Misawa, Takeharu; Takase, Kazuyuki

    Two-fluid model can simulate two-phase flow by computational cost less than detailed two-phase flow simulation method such as interface tracking method or particle interaction method. Therefore, two-fluid model is useful for thermal hydraulic analysis in large-scale domain such as a rod bundle. Japan Atomic Energy Agency (JAEA) develops three dimensional two-fluid model analysis code ACE-3D that adopts boundary fitted coordinate system in order to simulate complex shape flow channel. In this paper, boiling two-phase flow analysis in a tight-lattice rod bundle was performed by ACE-3D code. The parallel computation using 126 CPUs was applied to this analysis. In the results, the void fraction, which distributes in outermost region of rod bundle, is lower than that in center region of rod bundle. The tendency of void fraction distribution agreed with the measurement results by neutron radiography qualitatively. To evaluate effects of two-phase flow model used in ACE-3D code, numerical simulation of boiling two-phase in tight-lattice rod bundle with no lift force model was also performed. From the comparison of calculated results, it was concluded that the effects of lift force model were not so large for overall void fraction distribution of tight-lattice rod bundle. However, the lift force model is important for local void fraction distribution of fuel bundles.

  4. Computational models of planning.

    PubMed

    Geffner, Hector

    2013-07-01

    The selection of the action to do next is one of the central problems faced by autonomous agents. Natural and artificial systems address this problem in various ways: action responses can be hardwired, they can be learned, or they can be computed from a model of the situation, the actions, and the goals. Planning is the model-based approach to action selection and a fundamental ingredient of intelligent behavior in both humans and machines. Planning, however, is computationally hard as the consideration of all possible courses of action is not computationally feasible. The problem has been addressed by research in Artificial Intelligence that in recent years has uncovered simple but powerful computational principles that make planning feasible. The principles take the form of domain-independent methods for computing heuristics or appraisals that enable the effective generation of goal-directed behavior even over huge spaces. In this paper, we look at several planning models, at methods that have been shown to scale up to large problems, and at what these methods may suggest about the human mind. WIREs Cogn Sci 2013, 4:341-356. doi: 10.1002/wcs.1233 The authors have declared no conflicts of interest for this article. For further resources related to this article, please visit the WIREs website. PMID:26304223

  5. Computer cast blast modelling

    SciTech Connect

    Chung, S.; McGill, M.; Preece, D.S.

    1994-12-31

    Cast blasting can be designed to utilize explosive energy effectively and economically for coal mining operations to remove overburden material. This paper compares two blast models known as DMC (Distinct Motion Code) and SABREX (Scientific Approach to Breaking Rock with Explosives). DMC applies discrete spherical elements interacted with the flow of explosive gases and the explicit time integration to track particle motion resulting from a blast. The input to this model includes multi-layer rock properties, and both loading geometry and explosives equation-of-state parameters. It enables the user to have a wide range of control over drill pattern and explosive loading design parameters. SABREX assumes that heave process is controlled by the explosive gases which determines the velocity and time of initial movement of blocks within the burden, and then tracks the motion of the blocks until they come to a rest. In order to reduce computing time, the in-flight collisions of blocks are not considered and the motion of the first row is made to limit the motion of subsequent rows. Although modelling a blast is a complex task, the advance in computer technology has increased the computing power of small work stations as well as PC (personal computers) to permit a much shorter turn-around time for complex computations. The DMC can perform a blast simulation in 0.5 hours on the SUN SPARC station 10-41 while the new SABREX 3.5 produces results of a cast blast in ten seconds on a 486-PC. Predicted percentage of cast and face velocities from both computer codes compare well with the measured results from a full scale cast blast.

  6. Computer Modeling Of Atomization

    NASA Technical Reports Server (NTRS)

    Giridharan, M.; Ibrahim, E.; Przekwas, A.; Cheuch, S.; Krishnan, A.; Yang, H.; Lee, J.

    1994-01-01

    Improved mathematical models based on fundamental principles of conservation of mass, energy, and momentum developed for use in computer simulation of atomization of jets of liquid fuel in rocket engines. Models also used to study atomization in terrestrial applications; prove especially useful in designing improved industrial sprays - humidifier water sprays, chemical process sprays, and sprays of molten metal. Because present improved mathematical models based on first principles, they are minimally dependent on empirical correlations and better able to represent hot-flow conditions that prevail in rocket engines and are too severe to be accessible for detailed experimentation.

  7. Computer modelling of minerals

    NASA Astrophysics Data System (ADS)

    Catlow, C. R. A.; Parker, S. C.

    We review briefly the methodology and achievements of computer simulation techniques in modelling structural and defect properties of inorganic solids. Special attention is paid to the role of interatomic potentials in such studies. We discuss the extension of the techniques to the modelling of minerals, and describe recent results on the study of structural properties of silicates. In a paper of this length, it is not possible to give a comprehensive survey of this field. We shall concentrate on the recent work of our own group. The reader should consult Tossell (1977), Gibbs (1982), and Busing (1970) for examples of other computational studies of inorganic solids. The techniques we discuss are all based on the principle of energy minimization. Simpler, "bridge-buildingrdquo procedures, based on known bond-lengths, of which distance least squares (DLS) techniques are the best known are discussed, for example, in Dempsey and Strens (1974).

  8. Understanding student computational thinking with computational modeling

    NASA Astrophysics Data System (ADS)

    Aiken, John M.; Caballero, Marcos D.; Douglas, Scott S.; Burk, John B.; Scanlon, Erin M.; Thoms, Brian D.; Schatz, Michael F.

    2013-01-01

    Recently, the National Research Council's framework for next generation science standards highlighted "computational thinking" as one of its "fundamental practices". 9th Grade students taking a physics course that employed the Arizona State University's Modeling Instruction curriculum were taught to construct computational models of physical systems. Student computational thinking was assessed using a proctored programming assignment, written essay, and a series of think-aloud interviews, where the students produced and discussed a computational model of a baseball in motion via a high-level programming environment (VPython). Roughly a third of the students in the study were successful in completing the programming assignment. Student success on this assessment was tied to how students synthesized their knowledge of physics and computation. On the essay and interview assessments, students displayed unique views of the relationship between force and motion; those who spoke of this relationship in causal (rather than observational) terms tended to have more success in the programming exercise.

  9. Computer modeling of polymers

    NASA Technical Reports Server (NTRS)

    Green, Terry J.

    1988-01-01

    A Polymer Molecular Analysis Display System (p-MADS) was developed for computer modeling of polymers. This method of modeling allows for the theoretical calculation of molecular properties such as equilibrium geometries, conformational energies, heats of formations, crystal packing arrangements, and other properties. Furthermore, p-MADS has the following capabilities: constructing molecules from internal coordinates (bonds length, angles, and dihedral angles), Cartesian coordinates (such as X-ray structures), or from stick drawings; manipulating molecules using graphics and making hard copy representation of the molecules on a graphics printer; and performing geometry optimization calculations on molecules using the methods of molecular mechanics or molecular orbital theory.

  10. MIRO Computational Model

    NASA Technical Reports Server (NTRS)

    Broderick, Daniel

    2010-01-01

    A computational model calculates the excitation of water rotational levels and emission-line spectra in a cometary coma with applications for the Micro-wave Instrument for Rosetta Orbiter (MIRO). MIRO is a millimeter-submillimeter spectrometer that will be used to study the nature of cometary nuclei, the physical processes of outgassing, and the formation of the head region of a comet (coma). The computational model is a means to interpret the data measured by MIRO. The model is based on the accelerated Monte Carlo method, which performs a random angular, spatial, and frequency sampling of the radiation field to calculate the local average intensity of the field. With the model, the water rotational level populations in the cometary coma and the line profiles for the emission from the water molecules as a function of cometary parameters (such as outgassing rate, gas temperature, and gas and electron density) and observation parameters (such as distance to the comet and beam width) are calculated.

  11. Computer modeling of photodegradation

    NASA Technical Reports Server (NTRS)

    Guillet, J.

    1986-01-01

    A computer program to simulate the photodegradation of materials exposed to terrestrial weathering environments is being developed. Input parameters would include the solar spectrum, the daily levels and variations of temperature and relative humidity, and materials such as EVA. A brief description of the program, its operating principles, and how it works was initially described. After that, the presentation focuses on the recent work of simulating aging in a normal, terrestrial day-night cycle. This is significant, as almost all accelerated aging schemes maintain a constant light illumination without a dark cycle, and this may be a critical factor not included in acceleration aging schemes. For outdoor aging, the computer model is indicating that the night dark cycle has a dramatic influence on the chemistry of photothermal degradation, and hints that a dark cycle may be needed in an accelerated aging scheme.

  12. The Antares computing model

    NASA Astrophysics Data System (ADS)

    Kopper, Claudio; Antares Collaboration

    2013-10-01

    Completed in 2008, Antares is now the largest water Cherenkov neutrino telescope in the Northern Hemisphere. Its main goal is to detect neutrinos from galactic and extra-galactic sources. Due to the high background rate of atmospheric muons and the high level of bioluminescence, several on-line and off-line filtering algorithms have to be applied to the raw data taken by the instrument. To be able to handle this data stream, a dedicated computing infrastructure has been set up. The paper covers the main aspects of the current official Antares computing model. This includes an overview of on-line and off-line data handling and storage. In addition, the current usage of the “IceTray” software framework for Antares data processing is highlighted. Finally, an overview of the data storage formats used for high-level analysis is given.

  13. Computational modelling of atherosclerosis.

    PubMed

    Parton, Andrew; McGilligan, Victoria; O'Kane, Maurice; Baldrick, Francina R; Watterson, Steven

    2016-07-01

    Atherosclerosis is one of the principle pathologies of cardiovascular disease with blood cholesterol a significant risk factor. The World Health Organization estimates that approximately 2.5 million deaths occur annually because of the risk from elevated cholesterol, with 39% of adults worldwide at future risk. Atherosclerosis emerges from the combination of many dynamical factors, including haemodynamics, endothelial damage, innate immunity and sterol biochemistry. Despite its significance to public health, the dynamics that drive atherosclerosis remain poorly understood. As a disease that depends on multiple factors operating on different length scales, the natural framework to apply to atherosclerosis is mathematical and computational modelling. A computational model provides an integrated description of the disease and serves as an in silico experimental system from which we can learn about the disease and develop therapeutic hypotheses. Although the work completed in this area to date has been limited, there are clear signs that interest is growing and that a nascent field is establishing itself. This article discusses the current state of modelling in this area, bringing together many recent results for the first time. We review the work that has been done, discuss its scope and highlight the gaps in our understanding that could yield future opportunities. PMID:26438419

  14. Computer cast blast modelling

    SciTech Connect

    Chung, S.; McGill, M.; Preece, D.S.

    1994-07-01

    Cast blasting can be designed to utilize explosive energy effectively and economically for coal mining operations to remove overburden material. The more overburden removed by explosives, the less blasted material there is left to be transported with mechanical equipment, such as draglines and trucks. In order to optimize the percentage of rock that is cast, a higher powder factor than normal is required plus an initiation technique designed to produce a much greater degree of horizontal muck movement. This paper compares two blast models known as DMC (Distinct Motion Code) and SABREX (Scientific Approach to Breaking Rock with Explosives). DMC, applies discrete spherical elements interacted with the flow of explosive gases and the explicit time integration to track particle motion resulting from a blast. The input to this model includes multi-layer rock properties, and both loading geometry and explosives equation-of-state parameters. It enables the user to have a wide range of control over drill pattern and explosive loading design parameters. SABREX assumes that heave process is controlled by the explosive gases which determines the velocity and time of initial movement of blocks within the burden, and then tracks the motion of the blocks until they come to a rest. In order to reduce computing time, the in-flight collisions of blocks are not considered and the motion of the first row is made to limit the motion of subsequent rows. Although modelling a blast is a complex task, the DMC can perform a blast simulation in 0.5 hours on the SUN SPARCstation 10--41 while the new SABREX 3.5 produces results of a cast blast in ten seconds on a 486-PC computer. Predicted percentage of cast and face velocities from both computer codes compare well with the measured results from a full scale cast blast.

  15. Computational modelling of polymers

    NASA Technical Reports Server (NTRS)

    Celarier, Edward A.

    1991-01-01

    Polymeric materials and polymer/graphite composites show a very diverse range of material properties, many of which make them attractive candidates for a variety of high performance engineering applications. Their properties are ultimately determined largely by their chemical structure, and the conditions under which they are processed. It is the aim of computational chemistry to be able to simulate candidate polymers on a computer, and determine what their likely material properties will be. A number of commercially available software packages purport to predict the material properties of samples, given the chemical structures of their constituent molecules. One such system, Cerius, has been in use at LaRC. It is comprised of a number of modules, each of which performs a different kind of calculation on a molecule in the programs workspace. Particularly, interest is in evaluating the suitability of this program to aid in the study of microcrystalline polymeric materials. One of the first model systems examined was benzophenone. The results of this investigation are discussed.

  16. 3-dimensional bioprinting for tissue engineering applications.

    PubMed

    Gu, Bon Kang; Choi, Dong Jin; Park, Sang Jun; Kim, Min Sup; Kang, Chang Mo; Kim, Chun-Ho

    2016-01-01

    The 3-dimensional (3D) printing technologies, referred to as additive manufacturing (AM) or rapid prototyping (RP), have acquired reputation over the past few years for art, architectural modeling, lightweight machines, and tissue engineering applications. Among these applications, tissue engineering field using 3D printing has attracted the attention from many researchers. 3D bioprinting has an advantage in the manufacture of a scaffold for tissue engineering applications, because of rapid-fabrication, high-precision, and customized-production, etc. In this review, we will introduce the principles and the current state of the 3D bioprinting methods. Focusing on some of studies that are being current application for biomedical and tissue engineering fields using printed 3D scaffolds. PMID:27114828

  17. Teleportation of a 3-dimensional GHZ State

    NASA Astrophysics Data System (ADS)

    Cao, Hai-Jing; Wang, Huai-Sheng; Li, Peng-Fei; Song, He-Shan

    2012-05-01

    The process of teleportation of a completely unknown 3-dimensional GHZ state is considered. Three maximally entangled 3-dimensional Bell states function as quantum channel in the scheme. This teleportation scheme can be directly generalized to teleport an unknown d-dimensional GHZ state.

  18. Workshop on Computational Turbulence Modeling

    SciTech Connect

    Not Available

    1993-01-01

    This document contains presentations given at Workshop on Computational Turbulence Modeling held 15-16 Sep. 1993. The purpose of the meeting was to discuss the current status and future development of turbulence modeling in computational fluid dynamics for aerospace propulsion systems. Papers cover the following topics: turbulence modeling activities at the Center for Modeling of Turbulence and Transition (CMOTT); heat transfer and turbomachinery flow physics; aerothermochemistry and computational methods for space systems; computational fluid dynamics and the k-epsilon turbulence model; propulsion systems; and inlet, duct, and nozzle flow. Separate abstracts have been prepared for articles from this report.

  19. Workshop on Computational Turbulence Modeling

    NASA Technical Reports Server (NTRS)

    1993-01-01

    This document contains presentations given at Workshop on Computational Turbulence Modeling held 15-16 Sep. 1993. The purpose of the meeting was to discuss the current status and future development of turbulence modeling in computational fluid dynamics for aerospace propulsion systems. Papers cover the following topics: turbulence modeling activities at the Center for Modeling of Turbulence and Transition (CMOTT); heat transfer and turbomachinery flow physics; aerothermochemistry and computational methods for space systems; computational fluid dynamics and the k-epsilon turbulence model; propulsion systems; and inlet, duct, and nozzle flow.

  20. COMPUTER MODELS/EPANET

    EPA Science Inventory

    Pipe network flow analysis was among the first civil engineering applications programmed for solution on the early commercial mainframe computers in the 1960s. Since that time, advancements in analytical techniques and computing power have enabled us to solve systems with tens o...

  1. Design of 3-dimensional complex airplane configurations with specified pressure distribution via optimization

    NASA Technical Reports Server (NTRS)

    Kubrynski, Krzysztof

    1991-01-01

    A subcritical panel method applied to flow analysis and aerodynamic design of complex aircraft configurations is presented. The analysis method is based on linearized, compressible, subsonic flow equations and indirect Dirichlet boundary conditions. Quadratic dipol and linear source distribution on flat panels are applied. In the case of aerodynamic design, the geometry which minimizes differences between design and actual pressure distribution is found iteratively, using numerical optimization technique. Geometry modifications are modeled by surface transpiration concept. Constraints in respect to resulting geometry can be specified. A number of complex 3-dimensional design examples are presented. The software is adopted to personal computers, and as result an unexpected low cost of computations is obtained.

  2. Improving Perceptual Skills with 3-Dimensional Animations.

    ERIC Educational Resources Information Center

    Johns, Janet Faye; Brander, Julianne Marie

    1998-01-01

    Describes three-dimensional computer aided design (CAD) models for every component in a representative mechanical system; the CAD models made it easy to generate 3-D animations that are ideal for teaching perceptual skills in multimedia computer-based technical training. Fifteen illustrations are provided. (AEF)

  3. 3DHYDROGEOCHEM: A 3-DIMENSIONAL MODEL OF DENSITY-DEPENDENT SUBSURFACE FLOW AND THERMAL MULTISPECIES-MULTICOMPONENT HYDROGEOCHEMICAL TRANSPORT (EPA/600/SR-98/159)

    EPA Science Inventory

    This report presents a three-dimensional finite-element numerical model designed to simulate chemical transport in subsurface systems with temperature effect taken into account. The three-dimensional model is developed to provide (1) a tool of application, with which one is able ...

  4. Phase diagram of quark-antiquark and diquark condensates in the 3-dimensional Gross-Neveu model with the 4-component spinor representation

    SciTech Connect

    Kohyama, Hiroaki

    2008-07-01

    We construct the phase diagram of the quark-antiquark and diquark condensates at finite temperature and density in the 2+1 dimensional (3D) two flavor massless Gross-Neveu (GN) model with the 4-component quarks. In contrast to the case of the 2-component quarks, there appears the coexisting phase of the quark-antiquark and diquark condensates. This is the crucial difference between the 2-component and 4-component quark cases in the 3D GN model. The coexisting phase is also seen in the 4D Nambu Jona-Lasinio model. Then we see that the 3D GN model with the 4-component quarks bears closer resemblance to the 4D Nambu Jona-Lasinio model.

  5. Utility of a 3-dimensional full-scale NaCl model for rib strut grafting for anterior fusion for cervicothoracic kyphosis

    PubMed Central

    Kobayashi, Kazuyoshi; Imagama, Shiro; Muramoto, Akio; Ito, Zenya; Ando, Kei; Yagi, Hideki; Hida, Tetsuro; Ito, Kenyu; Ishikawa, Yoshimoto; Tsushima, Mikito; Ishiguro, Naoki

    2015-01-01

    ABSTRACT In severe spinal deformity, pain and neurological disorder may be caused by spinal cord compression. Surgery for spinal reconstruction is desirable, but may be difficult in a case with severe deformity. Here, we show the utility of a 3D NaCl (salt) model in preoperative planning of anterior reconstruction using a rib strut in a 49-year-old male patient with cervicothoracic degenerative spondylosis. We performed surgery in two stages: a posterior approach with decompression and posterior instrumentation with a pedicle screw; followed by a second operation using an anterior approach, for which we created a 3D NaCl model including the cervicothoracic lesion, spinal deformity, and ribs for anterior reconstruction. The 3D NaCl model was easily scraped compared with a conventional plaster model and was useful for planning of resection and identification of a suitable rib for grafting in a preoperative simulation. Surgery was performed successfully with reference to the 3D NaCl model. We conclude that preoperative simulation with a 3D NaCl model contributes to performance of anterior reconstruction using a rib strut in a case of cervicothoracic deformity. PMID:26412901

  6. Computational Models for Neuromuscular Function

    PubMed Central

    Valero-Cuevas, Francisco J.; Hoffmann, Heiko; Kurse, Manish U.; Kutch, Jason J.; Theodorou, Evangelos A.

    2011-01-01

    Computational models of the neuromuscular system hold the potential to allow us to reach a deeper understanding of neuromuscular function and clinical rehabilitation by complementing experimentation. By serving as a means to distill and explore specific hypotheses, computational models emerge from prior experimental data and motivate future experimental work. Here we review computational tools used to understand neuromuscular function including musculoskeletal modeling, machine learning, control theory, and statistical model analysis. We conclude that these tools, when used in combination, have the potential to further our understanding of neuromuscular function by serving as a rigorous means to test scientific hypotheses in ways that complement and leverage experimental data. PMID:21687779

  7. Computer-Aided Geometry Modeling

    NASA Technical Reports Server (NTRS)

    Shoosmith, J. N. (Compiler); Fulton, R. E. (Compiler)

    1984-01-01

    Techniques in computer-aided geometry modeling and their application are addressed. Mathematical modeling, solid geometry models, management of geometric data, development of geometry standards, and interactive and graphic procedures are discussed. The applications include aeronautical and aerospace structures design, fluid flow modeling, and gas turbine design.

  8. The Spatiotemporal Stability of Dominant Frequency Sites in In-Silico Modeling of 3-Dimensional Left Atrial Mapping of Atrial Fibrillation

    PubMed Central

    Hwang, Minki; Song, Jun-Seop; Lee, Young-Seon; Joung, Boyoung; Pak, Hui-Nam

    2016-01-01

    Background We previously reported that stable rotors were observed in in-silico human atrial fibrillation (AF) models, and were well represented by dominant frequency (DF). We explored the spatiotemporal stability of DF sites in 3D-AF models imported from patient CT images of the left atrium (LA). Methods We integrated 3-D CT images of the LA obtained from ten patients with persistent AF (male 80%, 61.8 ± 13.5 years old) into an in-silico AF model. After induction, we obtained 6 seconds of AF simulation data for DF analyses in 30 second intervals (T1–T9). The LA was divided into ten sections. Spatiotemporal changes and variations in the temporal consistency of DF were evaluated at each section of the LA. The high DF area was defined as the area with the highest 10% DF. Results 1. There was no spatial consistency in the high DF distribution at each LA section during T1–T9 except in one patient (p = 0.027). 2. Coefficients of variation for the high DF area were highly different among the ten LA sections (p < 0.001), and they were significantly higher in the four pulmonary vein (PV) areas, the LA appendage, and the peri-mitral area than in the other LA sections (p < 0.001). 3. When we conducted virtual ablation of 10%, 15%, and 20% of the highest DF areas (n = 270 cases), AF was changed to atrial tachycardia (AT) or terminated at a rate of 40%, 57%, and 76%, respectively. Conclusions Spatiotemporal consistency of the DF area was observed in 10% of AF patients, and high DF areas were temporally variable. Virtual ablation of DF is moderately effective in AF termination and AF changing into AT. PMID:27459377

  9. Wear particles derived from metal hip implants induce the generation of multinucleated giant cells in a 3-dimensional peripheral tissue-equivalent model.

    PubMed

    Dutta, Debargh K; Potnis, Pushya A; Rhodes, Kelly; Wood, Steven C

    2015-01-01

    Multinucleate giant cells (MGCs) are formed by the fusion of 5 to 15 monocytes or macrophages. MGCs can be generated by hip implants at the site where the metal surface of the device is in close contact with tissue. MGCs play a critical role in the inflammatory processes associated with adverse events such as aseptic loosening of the prosthetic joints and bone degeneration process called osteolysis. Upon interaction with metal wear particles, endothelial cells upregulate pro-inflammatory cytokines and other factors that enhance a localized immune response. However, the role of endothelial cells in the generation of MGCs has not been completely investigated. We developed a three-dimensional peripheral tissue-equivalent model (PTE) consisting of collagen gel, supporting a monolayer of endothelial cells and human peripheral blood mononuclear cells (PBMCs) on top, which mimics peripheral tissue under normal physiological conditions. The cultures were incubated for 14 days with Cobalt chromium alloy (CoCr ASTM F75, 1-5 micron) wear particles. PBMC were allowed to transit the endothelium and harvested cells were analyzed for MGC generation via flow cytometry. An increase in forward scatter (cell size) and in the propidium iodide (PI) uptake (DNA intercalating dye) was used to identify MGCs. Our results show that endothelial cells induce the generation of MGCs to a level 4 fold higher in 3-dimentional PTE system as compared to traditional 2-dimensional culture plates. Further characterization of MGCs showed upregulated expression of tartrate resistant alkaline phosphatase (TRAP) and dendritic cell specific transmembrane protein, (DC-STAMP), which are markers of bone degrading cells called osteoclasts. In sum, we have established a robust and relevant model to examine MGC and osteoclast formation in a tissue like environment using flow cytometry and RT-PCR. With endothelial cells help, we observed a consistent generation of metal wear particle- induced MGCs, which heralds

  10. toolkit computational mesh conceptual model.

    SciTech Connect

    Baur, David G.; Edwards, Harold Carter; Cochran, William K.; Williams, Alan B.; Sjaardema, Gregory D.

    2010-03-01

    The Sierra Toolkit computational mesh is a software library intended to support massively parallel multi-physics computations on dynamically changing unstructured meshes. This domain of intended use is inherently complex due to distributed memory parallelism, parallel scalability, heterogeneity of physics, heterogeneous discretization of an unstructured mesh, and runtime adaptation of the mesh. Management of this inherent complexity begins with a conceptual analysis and modeling of this domain of intended use; i.e., development of a domain model. The Sierra Toolkit computational mesh software library is designed and implemented based upon this domain model. Software developers using, maintaining, or extending the Sierra Toolkit computational mesh library must be familiar with the concepts/domain model presented in this report.

  11. Fast Computation of CMH Model

    NASA Technical Reports Server (NTRS)

    Patel, Umesh D.; DellaTorre, Edward; Day, John H. (Technical Monitor)

    2001-01-01

    A fast differential equation approach for the DOK model has been extented to the CMH model. Also, a cobweb technique for calculating the CMH model is also presented. The two techniques are contrasted from the point of view of flexibility and computation time.

  12. COMPUTATIONAL FLUID DYNAMICS MODELING ANALYSIS OF COMBUSTORS

    SciTech Connect

    Mathur, M.P.; Freeman, Mark; Gera, Dinesh

    2001-11-06

    In the current fiscal year FY01, several CFD simulations were conducted to investigate the effects of moisture in biomass/coal, particle injection locations, and flow parameters on carbon burnout and NO{sub x} inside a 150 MW GEEZER industrial boiler. Various simulations were designed to predict the suitability of biomass cofiring in coal combustors, and to explore the possibility of using biomass as a reburning fuel to reduce NO{sub x}. Some additional CFD simulations were also conducted on CERF combustor to examine the combustion characteristics of pulverized coal in enriched O{sub 2}/CO{sub 2} environments. Most of the CFD models available in the literature treat particles to be point masses with uniform temperature inside the particles. This isothermal condition may not be suitable for larger biomass particles. To this end, a stand alone program was developed from the first principles to account for heat conduction from the surface of the particle to its center. It is envisaged that the recently developed non-isothermal stand alone module will be integrated with the Fluent solver during next fiscal year to accurately predict the carbon burnout from larger biomass particles. Anisotropy in heat transfer in radial and axial will be explored using different conductivities in radial and axial directions. The above models will be validated/tested on various fullscale industrial boilers. The current NO{sub x} modules will be modified to account for local CH, CH{sub 2}, and CH{sub 3} radicals chemistry, currently it is based on global chemistry. It may also be worth exploring the effect of enriched O{sub 2}/CO{sub 2} environment on carbon burnout and NO{sub x} concentration. The research objective of this study is to develop a 3-Dimensional Combustor Model for Biomass Co-firing and reburning applications using the Fluent Computational Fluid Dynamics Code.

  13. FNAS computational modeling

    NASA Technical Reports Server (NTRS)

    Franz, J. R.

    1993-01-01

    Numerical calculations of the electronic properties of liquid II-VI semiconductors, particularly CdTe and ZnTe were performed. The measured conductivity of these liquid alloys were modeled by assuming that the dominant temperature effect is the increase in the number of dangling bonds with increasing temperature. For low to moderate values of electron correlation, the calculated conductivity as a function of dangling bond concentration closely follows the measured conductivity as a function of temperature. Both the temperature dependence of the chemical potential and the thermal smearing in region of the Fermi surface have a large effect on calculated values of conductivity.

  14. Computational models of epileptiform activity.

    PubMed

    Wendling, Fabrice; Benquet, Pascal; Bartolomei, Fabrice; Jirsa, Viktor

    2016-02-15

    We reviewed computer models that have been developed to reproduce and explain epileptiform activity. Unlike other already-published reviews on computer models of epilepsy, the proposed overview starts from the various types of epileptiform activity encountered during both interictal and ictal periods. Computational models proposed so far in the context of partial and generalized epilepsies are classified according to the following taxonomy: neural mass, neural field, detailed network and formal mathematical models. Insights gained about interictal epileptic spikes and high-frequency oscillations, about fast oscillations at seizure onset, about seizure initiation and propagation, about spike-wave discharges and about status epilepticus are described. This review shows the richness and complementarity of the various modeling approaches as well as the fruitful contribution of the computational neuroscience community in the field of epilepsy research. It shows that models have progressively gained acceptance and are now considered as an efficient way of integrating structural, functional and pathophysiological data about neural systems into "coherent and interpretable views". The advantages, limitations and future of modeling approaches are discussed. Perspectives in epilepsy research and clinical epileptology indicate that very promising directions are foreseen, like model-guided experiments or model-guided therapeutic strategy, among others. PMID:25843066

  15. Computational modeling of properties

    NASA Technical Reports Server (NTRS)

    Franz, Judy R.

    1994-01-01

    A simple model was developed to calculate the electronic transport parameters in disordered semiconductors in strong scattered regime. The calculation is based on a Green function solution to Kubo equation for the energy-dependent conductivity. This solution together with a rigorous calculation of the temperature-dependent chemical potential allows the determination of the dc conductivity and the thermopower. For wise-gap semiconductors with single defect bands, these transport properties are investigated as a function of defect concentration, defect energy, Fermi level, and temperature. Under certain conditions the calculated conductivity is quite similar to the measured conductivity in liquid II-VI semiconductors in that two distinct temperature regimes are found. Under different conditions the conductivity is found to decrease with temperature; this result agrees with measurements in amorphous Si. Finally the calculated thermopower can be positive or negative and may change sign with temperature or defect concentration.

  16. Computational modeling of properties

    NASA Technical Reports Server (NTRS)

    Franz, Judy R.

    1994-01-01

    A simple model was developed to calculate the electronic transport parameters in disordered semiconductors in strong scattered regime. The calculation is based on a Green function solution to Kubo equation for the energy-dependent conductivity. This solution together with a rigorous calculation of the temperature-dependent chemical potential allows the determination of the dc conductivity and the thermopower. For wide-gap semiconductors with single defect bands, these transport properties are investigated as a function of defect concentration, defect energy, Fermi level, and temperature. Under certain conditions the calculated conductivity is quite similar to the measured conductivity in liquid 2-6 semiconductors in that two distinct temperature regimes are found. Under different conditions the conductivity is found to decrease with temperature; this result agrees with measurements in amorphous Si. Finally the calculated thermopower can be positive or negative and may change sign with temperature or defect concentration.

  17. 3-dimensional imaging at nanometer resolutions

    DOEpatents

    Werner, James H.; Goodwin, Peter M.; Shreve, Andrew P.

    2010-03-09

    An apparatus and method for enabling precise, 3-dimensional, photoactivation localization microscopy (PALM) using selective, two-photon activation of fluorophores in a single z-slice of a sample in cooperation with time-gated imaging for reducing the background radiation from other image planes to levels suitable for single-molecule detection and spatial location, are described.

  18. Efficient Computational Model of Hysteresis

    NASA Technical Reports Server (NTRS)

    Shields, Joel

    2005-01-01

    A recently developed mathematical model of the output (displacement) versus the input (applied voltage) of a piezoelectric transducer accounts for hysteresis. For the sake of computational speed, the model is kept simple by neglecting the dynamic behavior of the transducer. Hence, the model applies to static and quasistatic displacements only. A piezoelectric transducer of the type to which the model applies is used as an actuator in a computer-based control system to effect fine position adjustments. Because the response time of the rest of such a system is usually much greater than that of a piezoelectric transducer, the model remains an acceptably close approximation for the purpose of control computations, even though the dynamics are neglected. The model (see Figure 1) represents an electrically parallel, mechanically series combination of backlash elements, each having a unique deadband width and output gain. The zeroth element in the parallel combination has zero deadband width and, hence, represents a linear component of the input/output relationship. The other elements, which have nonzero deadband widths, are used to model the nonlinear components of the hysteresis loop. The deadband widths and output gains of the elements are computed from experimental displacement-versus-voltage data. The hysteresis curve calculated by use of this model is piecewise linear beyond deadband limits.

  19. Ch. 33 Modeling: Computational Thermodynamics

    SciTech Connect

    Besmann, Theodore M

    2012-01-01

    This chapter considers methods and techniques for computational modeling for nuclear materials with a focus on fuels. The basic concepts for chemical thermodynamics are described and various current models for complex crystalline and liquid phases are illustrated. Also included are descriptions of available databases for use in chemical thermodynamic studies and commercial codes for performing complex equilibrium calculations.

  20. Computational Modeling of Multiphase Reactors.

    PubMed

    Joshi, J B; Nandakumar, K

    2015-01-01

    Multiphase reactors are very common in chemical industry, and numerous review articles exist that are focused on types of reactors, such as bubble columns, trickle beds, fluid catalytic beds, etc. Currently, there is a high degree of empiricism in the design process of such reactors owing to the complexity of coupled flow and reaction mechanisms. Hence, we focus on synthesizing recent advances in computational and experimental techniques that will enable future designs of such reactors in a more rational manner by exploring a large design space with high-fidelity models (computational fluid dynamics and computational chemistry models) that are validated with high-fidelity measurements (tomography and other detailed spatial measurements) to provide a high degree of rigor. Understanding the spatial distributions of dispersed phases and their interaction during scale up are key challenges that were traditionally addressed through pilot scale experiments, but now can be addressed through advanced modeling. PMID:26134737

  1. Computational models of adult neurogenesis

    NASA Astrophysics Data System (ADS)

    Cecchi, Guillermo A.; Magnasco, Marcelo O.

    2005-10-01

    Experimental results in recent years have shown that adult neurogenesis is a significant phenomenon in the mammalian brain. Little is known, however, about the functional role played by the generation and destruction of neurons in the context of an adult brain. Here, we propose two models where new projection neurons are incorporated. We show that in both models, using incorporation and removal of neurons as a computational tool, it is possible to achieve a higher computational efficiency that in purely static, synapse-learning-driven networks. We also discuss the implication for understanding the role of adult neurogenesis in specific brain areas like the olfactory bulb and the dentate gyrus.

  2. Models for computing combat risk

    NASA Astrophysics Data System (ADS)

    Jelinek, Jan

    2002-07-01

    Combat always involves uncertainty and uncertainty entails risk. To ensure that a combat task is prosecuted with the desired probability of success, the task commander has to devise an appropriate task force and then adjust it continuously in the course of battle. In order to do so, he has to evaluate how the probability of task success is related to the structure, capabilities and numerical strengths of combatants. For this purpose, predictive models of combat dynamics for combats in which the combatants fire asynchronously at random instants are developed from the first principles. Combats involving forces with both unlimited and limited ammunition supply are studied and modeled by stochastic Markov processes. In addition to the Markov models, another class of models first proposed by Brown was explored. The models compute directly the probability of win, in which we are primarily interested, without integrating the state probability equations. Experiments confirm that they produce exactly the same results at much lower computational cost.

  3. The 3-dimensional cellular automata for HIV infection

    NASA Astrophysics Data System (ADS)

    Mo, Youbin; Ren, Bin; Yang, Wencao; Shuai, Jianwei

    2014-04-01

    The HIV infection dynamics is discussed in detail with a 3-dimensional cellular automata model in this paper. The model can reproduce the three-phase development, i.e., the acute period, the asymptotic period and the AIDS period, observed in the HIV-infected patients in a clinic. We show that the 3D HIV model performs a better robustness on the model parameters than the 2D cellular automata. Furthermore, we reveal that the occurrence of a perpetual source to successively generate infectious waves to spread to the whole system drives the model from the asymptotic state to the AIDS state.

  4. Computational Modeling Method for Superalloys

    NASA Technical Reports Server (NTRS)

    Bozzolo, Guillermo; Noebe, Ronald D.; Gayda, John

    1997-01-01

    Computer modeling based on theoretical quantum techniques has been largely inefficient due to limitations on the methods or the computer needs associated with such calculations, thus perpetuating the notion that little help can be expected from computer simulations for the atomistic design of new materials. In a major effort to overcome these limitations and to provide a tool for efficiently assisting in the development of new alloys, we developed the BFS method for alloys, which together with the experimental results from previous and current research that validate its use for large-scale simulations, provide the ideal grounds for developing a computationally economical and physically sound procedure for supplementing the experimental work at great cost and time savings.

  5. Climate Modeling Computing Needs Assessment

    NASA Astrophysics Data System (ADS)

    Petraska, K. E.; McCabe, J. D.

    2011-12-01

    This paper discusses early findings of an assessment of computing needs for NASA science, engineering and flight communities. The purpose of this assessment is to document a comprehensive set of computing needs that will allow us to better evaluate whether our computing assets are adequately structured to meet evolving demand. The early results are interesting, already pointing out improvements we can make today to get more out of the computing capacity we have, as well as potential game changing innovations for the future in how we apply information technology to science computing. Our objective is to learn how to leverage our resources in the best way possible to do more science for less money. Our approach in this assessment is threefold: Development of use case studies for science workflows; Creating a taxonomy and structure for describing science computing requirements; and characterizing agency computing, analysis, and visualization resources. As projects evolve, science data sets increase in a number of ways: in size, scope, timelines, complexity, and fidelity. Generating, processing, moving, and analyzing these data sets places distinct and discernable requirements on underlying computing, analysis, storage, and visualization systems. The initial focus group for this assessment is the Earth Science modeling community within NASA's Science Mission Directorate (SMD). As the assessment evolves, this focus will expand to other science communities across the agency. We will discuss our use cases, our framework for requirements and our characterizations, as well as our interview process, what we learned and how we plan to improve our materials after using them in the first round of interviews in the Earth Science Modeling community. We will describe our plans for how to expand this assessment, first into the Earth Science data analysis and remote sensing communities, and then throughout the full community of science, engineering and flight at NASA.

  6. Biochemical Applications Of 3-Dimensional Fluorescence Spectrometry

    NASA Astrophysics Data System (ADS)

    Leiner, Marc J.; Wolfbeis, Otto S.

    1988-06-01

    We investigated the 3-dimensional fluorescence of complex mixtures of bioloquids such as human serum, serum ultrafiltrate, human urine, and human plasma low density lipoproteins. The total fluorescence of human serum can be divided into a few peaks. When comparing fluorescence topograms of sera, from normal and cancerous subjects, we found significant differences in tryptophan fluorescence. Although the total fluorescence of human urine can be resolved into 3-5 distinct peaks, some of them. do not result from single fluorescent urinary metabolites, but rather from. several species having similar spectral properties. Human plasma, low density lipoproteins possess a native fluorescence that changes when submitted to in-vitro autoxidation. The 3-dimensional fluorescence demonstrated the presence of 7 fluorophores in the lipid domain, and 6 fluorophores in the protein. dovain- The above results demonstrated that 3-dimensional fluorescence can resolve the spectral properties of complex ,lxtures much better than other methods. Moreover, other parameters than excitation and emission wavelength and intensity (for instance fluorescence lifetime, polarization, or quenchability) may be exploited to give a multidl,ensio,a1 matrix, that is unique for each sample. Consequently, 3-dimensio:Hhal fluorescence as such, or in combination with separation techniques is therefore considered to have the potential of becoming a useful new H.ethod in clinical chemistry and analytical biochemistry.

  7. Hydronic distribution system computer model

    SciTech Connect

    Andrews, J.W.; Strasser, J.J.

    1994-10-01

    A computer model of a hot-water boiler and its associated hydronic thermal distribution loop has been developed at Brookhaven National Laboratory (BNL). It is intended to be incorporated as a submodel in a comprehensive model of residential-scale thermal distribution systems developed at Lawrence Berkeley. This will give the combined model the capability of modeling forced-air and hydronic distribution systems in the same house using the same supporting software. This report describes the development of the BNL hydronics model, initial results and internal consistency checks, and its intended relationship to the LBL model. A method of interacting with the LBL model that does not require physical integration of the two codes is described. This will provide capability now, with reduced up-front cost, as long as the number of runs required is not large.

  8. Computational Modeling for Bedside Application

    PubMed Central

    Kerckhoffs, Roy C.P.; Narayan, Sanjiv M.; Omens, Jeffrey H.; Mulligan, Lawrence J.; McCulloch, Andrew D.

    2008-01-01

    With growing computer power, novel diagnostic and therapeutic medical technologies, coupled with an increasing knowledge of pathophysiology from gene to organ systems, it is increasingly feasible to apply multi-scale patient-specific modeling based on proven disease mechanisms to guide and predict the response to therapy in many aspects of medicine. This is an exciting and relatively new approach, for which efficient methods and computational tools are of the utmost importance. Already, investigators have designed patient-specific models in almost all areas of human physiology. Not only will these models be useful on a large scale in the clinic to predict and optimize the outcome from surgery and non-interventional therapy, but they will also provide pathophysiologic insights from cell to tissue to organ system, and therefore help to understand why specific interventions succeed or fail. PMID:18598988

  9. 3-dimensional strain fields from tomographic measurements

    NASA Astrophysics Data System (ADS)

    Haldrup, K.; Nielsen, S. F.; Mishnaevsky, L., Jr.; Beckmann, F.; Wert, J. A.

    2006-08-01

    Understanding the distributions of strain within solid bodies undergoing plastic deformations has been of interest for many years in a wide range of disciplines, ranging from basic materials science to biology. However, the desire to investigate these strain fields has been frustrated by the inaccessibility of the interior of most samples to detailed investigation without destroying the sample in the process. To some extent, this has been remedied by the development of advanced surface measurement techniques as well as computer models based on Finite Element methods. Over the last decade, this situation has changed by the introduction of a range of tomographic methods based both on advances in computer technology and in instrumentation, advances which have opened up the interior of optically opaque samples for detailed investigations. We present a general method for assessing the strain in the interior of marker-containing specimens undergoing various types of deformation. The results are compared with Finite Element modelling.

  10. Visualizing ultrasound through computational modeling

    NASA Technical Reports Server (NTRS)

    Guo, Theresa W.

    2004-01-01

    The Doppler Ultrasound Hematocrit Project (DHP) hopes to find non-invasive methods of determining a person s blood characteristics. Because of the limits of microgravity and the space travel environment, it is important to find non-invasive methods of evaluating the health of persons in space. Presently, there is no well developed method of determining blood composition non-invasively. This projects hopes to use ultrasound and Doppler signals to evaluate the characteristic of hematocrit, the percentage by volume of red blood cells within whole blood. These non-invasive techniques may also be developed to be used on earth for trauma patients where invasive measure might be detrimental. Computational modeling is a useful tool for collecting preliminary information and predictions for the laboratory research. We hope to find and develop a computer program that will be able to simulate the ultrasound signals the project will work with. Simulated models of test conditions will more easily show what might be expected from laboratory results thus help the research group make informed decisions before and during experimentation. There are several existing Matlab based computer programs available, designed to interpret and simulate ultrasound signals. These programs will be evaluated to find which is best suited for the project needs. The criteria of evaluation that will be used are 1) the program must be able to specify transducer properties and specify transmitting and receiving signals, 2) the program must be able to simulate ultrasound signals through different attenuating mediums, 3) the program must be able to process moving targets in order to simulate the Doppler effects that are associated with blood flow, 4) the program should be user friendly and adaptable to various models. After a computer program is chosen, two simulation models will be constructed. These models will simulate and interpret an RF data signal and a Doppler signal.

  11. Parallel computing in enterprise modeling.

    SciTech Connect

    Goldsby, Michael E.; Armstrong, Robert C.; Shneider, Max S.; Vanderveen, Keith; Ray, Jaideep; Heath, Zach; Allan, Benjamin A.

    2008-08-01

    This report presents the results of our efforts to apply high-performance computing to entity-based simulations with a multi-use plugin for parallel computing. We use the term 'Entity-based simulation' to describe a class of simulation which includes both discrete event simulation and agent based simulation. What simulations of this class share, and what differs from more traditional models, is that the result sought is emergent from a large number of contributing entities. Logistic, economic and social simulations are members of this class where things or people are organized or self-organize to produce a solution. Entity-based problems never have an a priori ergodic principle that will greatly simplify calculations. Because the results of entity-based simulations can only be realized at scale, scalable computing is de rigueur for large problems. Having said that, the absence of a spatial organizing principal makes the decomposition of the problem onto processors problematic. In addition, practitioners in this domain commonly use the Java programming language which presents its own problems in a high-performance setting. The plugin we have developed, called the Parallel Particle Data Model, overcomes both of these obstacles and is now being used by two Sandia frameworks: the Decision Analysis Center, and the Seldon social simulation facility. While the ability to engage U.S.-sized problems is now available to the Decision Analysis Center, this plugin is central to the success of Seldon. Because Seldon relies on computationally intensive cognitive sub-models, this work is necessary to achieve the scale necessary for realistic results. With the recent upheavals in the financial markets, and the inscrutability of terrorist activity, this simulation domain will likely need a capability with ever greater fidelity. High-performance computing will play an important part in enabling that greater fidelity.

  12. Cosmic logic: a computational model

    NASA Astrophysics Data System (ADS)

    Vanchurin, Vitaly

    2016-02-01

    We initiate a formal study of logical inferences in context of the measure problem in cosmology or what we call cosmic logic. We describe a simple computational model of cosmic logic suitable for analysis of, for example, discretized cosmological systems. The construction is based on a particular model of computation, developed by Alan Turing, with cosmic observers (CO), cosmic measures (CM) and cosmic symmetries (CS) described by Turing machines. CO machines always start with a blank tape and CM machines take CO's Turing number (also known as description number or Gödel number) as input and output the corresponding probability. Similarly, CS machines take CO's Turing number as input, but output either one if the CO machines are in the same equivalence class or zero otherwise. We argue that CS machines are more fundamental than CM machines and, thus, should be used as building blocks in constructing CM machines. We prove the non-computability of a CS machine which discriminates between two classes of CO machines: mortal that halts in finite time and immortal that runs forever. In context of eternal inflation this result implies that it is impossible to construct CM machines to compute probabilities on the set of all CO machines using cut-off prescriptions. The cut-off measures can still be used if the set is reduced to include only machines which halt after a finite and predetermined number of steps.

  13. Workshop on Computational Turbulence Modeling

    NASA Technical Reports Server (NTRS)

    Shabbir, A. (Compiler); Shih, T.-H. (Compiler); Povinelli, L. A. (Compiler)

    1994-01-01

    The purpose of this meeting was to discuss the current status and future development of turbulence modeling in computational fluid dynamics for aerospace propulsion systems. Various turbulence models have been developed and applied to different turbulent flows over the past several decades and it is becoming more and more urgent to assess their performance in various complex situations. In order to help users in selecting and implementing appropriate models in their engineering calculations, it is important to identify the capabilities as well as the deficiencies of these models. This also benefits turbulence modelers by permitting them to further improve upon the existing models. This workshop was designed for exchanging ideas and enhancing collaboration between different groups in the Lewis community who are using turbulence models in propulsion related CFD. In this respect this workshop will help the Lewis goal of excelling in propulsion related research. This meeting had seven sessions for presentations and one panel discussion over a period of two days. Each presentation session was assigned to one or two branches (or groups) to present their turbulence related research work. Each group was asked to address at least the following points: current status of turbulence model applications and developments in the research; progress and existing problems; and requests about turbulence modeling. The panel discussion session was designed for organizing committee members to answer management and technical questions from the audience and to make concluding remarks.

  14. Application of three-dimensional computer modeling for reservoir and ore-body analysis

    SciTech Connect

    Hamilton, D.E.; Marie, J.L.; Moon, G.M.; Moretti, F.J.; Ryman, W.P.; Didur, R.S.

    1985-02-01

    Three-dimensional computer modeling of reservoirs and ore bodies aids in understanding and exploiting these resources. This modeling tool enables the geologist and engineer to correlate in 3 dimensions, experiment with various geologic interpretations, combine variables to enhance certain geologic attributes, test for reservoir heterogeneities and continuity, select drill sites or perforation zones, determine volumes, plan production, generate geologic parameters for input to flow simulators, calculate tonnages and ore-waste ratios, and test sensitivity of reserves to various ore-grade cutoffs and economic parameters. All applications benefit from the ability to update rapidly the 3-dimensional computer models when new data are collected. Two 3-dimensional computer modeling projects demonstrate these capabilities. The first project involves modeling porosity, permeability, and water saturation in a Malaysian reservoir. The models were used to analyze the relationship between water saturation and porosity and to generate geologic parameters for input to a flow simulator. The second project involves modeling copper, zinc, silver, gold, and specific gravity in a massive sulfide ore body in British Columbia. The 4 metal models were combined into one copper-equivalence model and evaluated for tonnage, stripping ratio, and sensitivity to variations of ore-grade cutoff.

  15. MODEL IDENTIFICATION AND COMPUTER ALGEBRA.

    PubMed

    Bollen, Kenneth A; Bauldry, Shawn

    2010-10-01

    Multiequation models that contain observed or latent variables are common in the social sciences. To determine whether unique parameter values exist for such models, one needs to assess model identification. In practice analysts rely on empirical checks that evaluate the singularity of the information matrix evaluated at sample estimates of parameters. The discrepancy between estimates and population values, the limitations of numerical assessments of ranks, and the difference between local and global identification make this practice less than perfect. In this paper we outline how to use computer algebra systems (CAS) to determine the local and global identification of multiequation models with or without latent variables. We demonstrate a symbolic CAS approach to local identification and develop a CAS approach to obtain explicit algebraic solutions for each of the model parameters. We illustrate the procedures with several examples, including a new proof of the identification of a model for handling missing data using auxiliary variables. We present an identification procedure for Structural Equation Models that makes use of CAS and that is a useful complement to current methods. PMID:21769158

  16. Los Alamos Center for Computer Security formal computer security model

    SciTech Connect

    Dreicer, J.S.; Hunteman, W.J.; Markin, J.T.

    1989-01-01

    This paper provides a brief presentation of the formal computer security model currently being developed at the Los Alamos Department of Energy (DOE) Center for Computer Security (CCS). The need to test and verify DOE computer security policy implementation first motivated this effort. The actual analytical model was a result of the integration of current research in computer security and previous modeling and research experiences. The model is being developed to define a generic view of the computer and network security domains, to provide a theoretical basis for the design of a security model, and to address the limitations of present formal mathematical models for computer security. The fundamental objective of computer security is to prevent the unauthorized and unaccountable access to a system. The inherent vulnerabilities of computer systems result in various threats from unauthorized access. The foundation of the Los Alamos DOE CCS model is a series of functionally dependent probability equations, relations, and expressions. The model is undergoing continued discrimination and evolution. We expect to apply the model to the discipline of the Bell and LaPadula abstract sets of objects and subjects. 6 refs.

  17. Computer modeling of piezoresistive gauges

    SciTech Connect

    Nutt, G. L.; Hallquist, J. O.

    1981-08-07

    A computer model of a piezoresistive gauge subject to shock loading is developed. The time-dependent two-dimensional response of the gauge is calculated. The stress and strain components of the gauge are determined assuming elastic-plastic material properties. The model is compared with experiment for four cases. An ytterbium foil gauge in a PPMA medum subjected to a 0.5 Gp plane shock wave, where the gauge is presented to the shock with its flat surface both parallel and perpendicular to the front. A similar comparison is made for a manganin foil subjected to a 2.7 Gp shock. The signals are compared also with a calibration equation derived with the gauge and medium properties accounted for but with the assumption that the gauge is in stress equilibrium with the shocked medium.

  18. A Computationally Efficient Bedrock Model

    NASA Astrophysics Data System (ADS)

    Fastook, J. L.

    2002-05-01

    Full treatments of the Earth's crust, mantle, and core for ice sheet modeling are often computationally overwhelming, in that the requirements to calculate a full self-gravitating spherical Earth model for the time-varying load history of an ice sheet are considerably greater than the computational requirements for the ice dynamics and thermodynamics combined. For this reason, we adopt a ``reasonable'' approximation for the behavior of the deforming bedrock beneath the ice sheet. This simpler model of the Earth treats the crust as an elastic plate supported from below by a hydrostatic fluid. Conservation of linear and angular momentum for an elastic plate leads to the classical Poisson-Kirchhoff fourth order differential equation in the crustal displacement. By adding a time-dependent term this treatment allows for an exponentially-decaying response of the bed to loading and unloading events. This component of the ice sheet model (along with the ice dynamics and thermodynamics) is solved using the Finite Element Method (FEM). C1 FEMs are difficult to implement in more than one dimension, and as such the engineering community has turned away from classical Poisson-Kirchhoff plate theory to treatments such as Reissner-Mindlin plate theory, which are able to accommodate transverse shear and hence require only C0 continuity of basis functions (only the function, and not the derivative, is required to be continuous at the element boundary) (Hughes 1987). This method reduces the complexity of the C1 formulation by adding additional degrees of freedom (the transverse shear in x and y) at each node. This ``reasonable'' solution is compared with two self-gravitating spherical Earth models (1. Ivins et al. (1997) and James and Ivins (1998) } and 2. Tushingham and Peltier 1991 ICE3G run by Jim Davis and Glenn Milne), as well as with preliminary results of residual rebound rates measured with GPS by the BIFROST project. Modeled responses of a simulated ice sheet experiencing a

  19. A Model Computer Literacy Course.

    ERIC Educational Resources Information Center

    Orndorff, Joseph

    Designed to address the varied computer skill levels of college students, this proposed computer literacy course would be modular in format, with modules tailored to address various levels of expertise and permit individualized instruction. An introductory module would present both the history and future of computers and computing, followed by an…

  20. A Computational Theory of Modelling

    NASA Astrophysics Data System (ADS)

    Rossberg, Axel G.

    2003-04-01

    A metatheory is developed which characterizes the relationship between a modelled system, which complies with some ``basic theory'', and a model, which does not, and yet reproduces important aspects of the modelled system. A model is represented by an (in a certain sense, s.b.) optimal algorithm which generates data that describe the model's state or evolution complying with a ``reduced theory''. Theories are represented by classes of (in a similar sense, s.b.) optimal algorithms that test if their input data comply with the theory. The metatheory does not prescribe the formalisms (data structure, language) to be used for the description of states or evolutions. Transitions to other formalisms and loss of accuracy, common to theory reduction, are explicitly accounted for. The basic assumption of the theory is that resources such as the code length (~ programming time) and the computation time for modelling and testing are costly, but the relative cost of each recourse is unknown. Thus, if there is an algorithm a for which there is no other algorithm b solving the same problem but using less of each recourse, then a is considered optimal. For tests (theories), the set X of wrongly admitted inputs is treated as another resource. It is assumed that X1 is cheaper than X2 when X1 ⊂ X2 (X1 ≠ X2). Depending on the problem, the algorithmic complexity of a reduced theory can be smaller or larger than that of the basic theory. The theory might help to distinguish actual properties of complex systems from mere mental constructs. An application to complex spatio-temporal patterns is discussed.

  1. Computational model for chromosomal instabilty

    NASA Astrophysics Data System (ADS)

    Zapperi, Stefano; Bertalan, Zsolt; Budrikis, Zoe; La Porta, Caterina

    2015-03-01

    Faithful segregation of genetic material during cell division requires alignment of the chromosomes between the spindle poles and attachment of their kinetochores to each of the poles. Failure of these complex dynamical processes leads to chromosomal instability (CIN), a characteristic feature of several diseases including cancer. While a multitude of biological factors regulating chromosome congression and bi-orientation have been identified, it is still unclear how they are integrated into a coherent picture. Here we address this issue by a three dimensional computational model of motor-driven chromosome congression and bi-orientation. Our model reveals that successful cell division requires control of the total number of microtubules: if this number is too small bi-orientation fails, while if it is too large not all the chromosomes are able to congress. The optimal number of microtubules predicted by our model compares well with early observations in mammalian cell spindles. Our results shed new light on the origin of several pathological conditions related to chromosomal instability.

  2. Computational modeling of membrane proteins

    PubMed Central

    Leman, Julia Koehler; Ulmschneider, Martin B.; Gray, Jeffrey J.

    2014-01-01

    The determination of membrane protein (MP) structures has always trailed that of soluble proteins due to difficulties in their overexpression, reconstitution into membrane mimetics, and subsequent structure determination. The percentage of MP structures in the protein databank (PDB) has been at a constant 1-2% for the last decade. In contrast, over half of all drugs target MPs, only highlighting how little we understand about drug-specific effects in the human body. To reduce this gap, researchers have attempted to predict structural features of MPs even before the first structure was experimentally elucidated. In this review, we present current computational methods to predict MP structure, starting with secondary structure prediction, prediction of trans-membrane spans, and topology. Even though these methods generate reliable predictions, challenges such as predicting kinks or precise beginnings and ends of secondary structure elements are still waiting to be addressed. We describe recent developments in the prediction of 3D structures of both α-helical MPs as well as β-barrels using comparative modeling techniques, de novo methods, and molecular dynamics (MD) simulations. The increase of MP structures has (1) facilitated comparative modeling due to availability of more and better templates, and (2) improved the statistics for knowledge-based scoring functions. Moreover, de novo methods have benefitted from the use of correlated mutations as restraints. Finally, we outline current advances that will likely shape the field in the forthcoming decade. PMID:25355688

  3. Cupola Furnace Computer Process Model

    SciTech Connect

    Seymour Katz

    2004-12-31

    The cupola furnace generates more than 50% of the liquid iron used to produce the 9+ million tons of castings annually. The cupola converts iron and steel into cast iron. The main advantages of the cupola furnace are lower energy costs than those of competing furnaces (electric) and the ability to melt less expensive metallic scrap than the competing furnaces. However the chemical and physical processes that take place in the cupola furnace are highly complex making it difficult to operate the furnace in optimal fashion. The results are low energy efficiency and poor recovery of important and expensive alloy elements due to oxidation. Between 1990 and 2004 under the auspices of the Department of Energy, the American Foundry Society and General Motors Corp. a computer simulation of the cupola furnace was developed that accurately describes the complex behavior of the furnace. When provided with the furnace input conditions the model provides accurate values of the output conditions in a matter of seconds. It also provides key diagnostics. Using clues from the diagnostics a trained specialist can infer changes in the operation that will move the system toward higher efficiency. Repeating the process in an iterative fashion leads to near optimum operating conditions with just a few iterations. More advanced uses of the program have been examined. The program is currently being combined with an ''Expert System'' to permit optimization in real time. The program has been combined with ''neural network'' programs to affect very easy scanning of a wide range of furnace operation. Rudimentary efforts were successfully made to operate the furnace using a computer. References to these more advanced systems will be found in the ''Cupola Handbook''. Chapter 27, American Foundry Society, Des Plaines, IL (1999).

  4. Predictive models and computational toxicology.

    PubMed

    Knudsen, Thomas; Martin, Matthew; Chandler, Kelly; Kleinstreuer, Nicole; Judson, Richard; Sipes, Nisha

    2013-01-01

    Understanding the potential health risks posed by environmental chemicals is a significant challenge elevated by the large number of diverse chemicals with generally uncharacterized exposures, mechanisms, and toxicities. The ToxCast computational toxicology research program was launched by EPA in 2007 and is part of the federal Tox21 consortium to develop a cost-effective approach for efficiently prioritizing the toxicity testing of thousands of chemicals and the application of this information to assessing human toxicology. ToxCast addresses this problem through an integrated workflow using high-throughput screening (HTS) of chemical libraries across more than 650 in vitro assays including biochemical assays, human cells and cell lines, and alternative models such as mouse embryonic stem cells and zebrafish embryo development. The initial phase of ToxCast profiled a library of 309 environmental chemicals, mostly pesticidal actives having rich in vivo data from guideline studies that include chronic/cancer bioassays in mice and rats, multigenerational reproductive studies in rats, and prenatal developmental toxicity endpoints in rats and rabbits. The first phase of ToxCast was used to build models that aim to determine how well in vivo animal effects can be predicted solely from the in vitro data. Phase I is now complete and both the in vitro data (ToxCast) and anchoring in vivo database (ToxRefDB) have been made available to the public (http://actor.epa.gov/). As Phase II of ToxCast is now underway, the purpose of this chapter is to review progress to date with ToxCast predictive modeling, using specific examples on developmental and reproductive effects in rats and rabbits with lessons learned during Phase I. PMID:23138916

  5. Disciplines, models, and computers: the path to computational quantum chemistry.

    PubMed

    Lenhard, Johannes

    2014-12-01

    Many disciplines and scientific fields have undergone a computational turn in the past several decades. This paper analyzes this sort of turn by investigating the case of computational quantum chemistry. The main claim is that the transformation from quantum to computational quantum chemistry involved changes in three dimensions. First, on the side of instrumentation, small computers and a networked infrastructure took over the lead from centralized mainframe architecture. Second, a new conception of computational modeling became feasible and assumed a crucial role. And third, the field of computa- tional quantum chemistry became organized in a market-like fashion and this market is much bigger than the number of quantum theory experts. These claims will be substantiated by an investigation of the so-called density functional theory (DFT), the arguably pivotal theory in the turn to computational quantum chemistry around 1990. PMID:25571750

  6. Studies of Cosmic Ray Modulation and Energetic Particle Propagation in Time-Dependent 3-Dimensional Heliospheric Magnetic Fields

    NASA Technical Reports Server (NTRS)

    Zhang, Ming

    2005-01-01

    The primary goal of this project was to perform theoretical calculations of propagation of cosmic rays and energetic particles in 3-dimensional heliospheric magnetic fields. We used Markov stochastic process simulation to achieve to this goal. We developed computation software that can be used to study particle propagation in, as two examples of heliospheric magnetic fields that have to be treated in 3 dimensions, a heliospheric magnetic field suggested by Fisk (1996) and a global heliosphere including the region beyond the termination shock. The results from our model calculations were compared with particle measurements from Ulysses, Earth-based spacecraft such as IMP-8, WIND and ACE, Voyagers and Pioneers in outer heliosphere for tests of the magnetic field models. We particularly looked for features of particle variations that can allow us to significantly distinguish the Fisk magnetic field from the conventional Parker spiral field. The computer code will eventually lead to a new generation of integrated software for solving complicated problems of particle acceleration, propagation and modulation in realistic 3-dimensional heliosphere of realistic magnetic fields and the solar wind with a single computation approach.

  7. The Fermilab Central Computing Facility architectural model

    SciTech Connect

    Nicholls, J.

    1989-05-01

    The goal of the current Central Computing Upgrade at Fermilab is to create a computing environment that maximizes total productivity, particularly for high energy physics analysis. The Computing Department and the Next Computer Acquisition Committee decided upon a model which includes five components: an interactive front end, a Large-Scale Scientific Computer (LSSC, a mainframe computing engine), a microprocessor farm system, a file server, and workstations. With the exception of the file server, all segments of this model are currently in production: a VAX/VMS Cluster interactive front end, an Amdahl VM computing engine, ACP farms, and (primarily) VMS workstations. This presentation will discuss the implementation of the Fermilab Central Computing Facility Architectural Model. Implications for Code Management in such a heterogeneous environment, including issues such as modularity and centrality, will be considered. Special emphasis will be placed on connectivity and communications between the front-end, LSSC, and workstations, as practiced at Fermilab. 2 figs.

  8. Fast Computation of the Inverse CMH Model

    NASA Technical Reports Server (NTRS)

    Patel, Umesh D.; Torre, Edward Della; Day, John H. (Technical Monitor)

    2001-01-01

    A fast computational method based on differential equation approach for inverse DOK model has been extended for the inverse CMH model. Also, a cobweb technique for calculating the inverse CMH model is also presented. The two techniques are differed from the point of view of flexibility and computation time.

  9. Lower bounds on the computational efficiency of optical computing systems

    NASA Astrophysics Data System (ADS)

    Barakat, Richard; Reif, John

    1987-03-01

    A general model for determining the computational efficiency of optical computing systems, termed the VLSIO model, is described. It is a 3-dimensional generalization of the wire model of a 2-dimensional VLSI with optical beams (via Gabor's theorem) replacing the wires as communication channels. Lower bounds (in terms of simultaneous volume and time) on the computational resources of the VLSIO are obtained for computing various problems such as matrix multiplication.

  10. Predictive Models and Computational Toxicology

    EPA Science Inventory

    Understanding the potential health risks posed by environmental chemicals is a significant challenge elevated by the large number of diverse chemicals with generally uncharacterized exposures, mechanisms, and toxicities. The ToxCast computational toxicology research program was l...

  11. Reliability models for dataflow computer systems

    NASA Technical Reports Server (NTRS)

    Kavi, K. M.; Buckles, B. P.

    1985-01-01

    The demands for concurrent operation within a computer system and the representation of parallelism in programming languages have yielded a new form of program representation known as data flow (DENN 74, DENN 75, TREL 82a). A new model based on data flow principles for parallel computations and parallel computer systems is presented. Necessary conditions for liveness and deadlock freeness in data flow graphs are derived. The data flow graph is used as a model to represent asynchronous concurrent computer architectures including data flow computers.

  12. Computational modeling of vascular anastomoses.

    PubMed

    Migliavacca, Francesco; Dubini, Gabriele

    2005-06-01

    Recent development of computational technology allows a level of knowledge of biomechanical factors in the healthy or pathological cardiovascular system that was unthinkable a few years ago. In particular, computational fluid dynamics (CFD) and computational structural (CS) analyses have been used to evaluate specific quantities, such as fluid and wall stresses and strains, which are very difficult to measure in vivo. Indeed, CFD and CS offer much more variability and resolution than in vitro and in vivo methods, yet computations must be validated by careful comparison with experimental and clinical data. The enormous parallel development of clinical imaging such as magnetic resonance or computed tomography opens a new way toward a detailed patient-specific description of the actual hemodynamics and structural behavior of living tissues. Coupling of CFD/CS and clinical images is becoming a standard evaluation that is expected to become part of the clinical practice in the diagnosis and in the surgical planning in advanced medical centers. This review focuses on computational studies of fluid and structural dynamics of a number of vascular anastomoses: the coronary bypass graft anastomoses, the arterial peripheral anastomoses, the arterio-venous graft anastomoses and the vascular anastomoses performed in the correction of congenital heart diseases. PMID:15772842

  13. Modeling computer interest in older adults: the role of age, education, computer knowledge, and computer anxiety.

    PubMed

    Ellis, D; Allaire, J C

    1999-09-01

    We proposed a mediation model to examine the effects of age, education, computer knowledge, and computer anxiety on computer interest in older adults. We hypothesized that computer knowledge and computer anxiety would fully mediate the effects of age and education on computer interest. A sample of 330 older adults from local senior-citizen apartment buildings completed a survey that included an assessment of the constructs included in the model. Using structural equation modeling, we found that the results supported the hypothesized mediation model. In particular, the effect of computer knowledge operated on computer interest through computer anxiety. The effect of age was not fully mitigated by the other model variables, indicating the need for future research that identifies and models other correlates of age and computer interest. The most immediate application of this research is the finding that a simple 3-item instrument can be used to assess computer interest in older populations. This will help professionals plan and implement computer services in public-access settings for older adults. An additional application of this research is the information it provides for training program designers. PMID:10665203

  14. Climate Modeling using High-Performance Computing

    SciTech Connect

    Mirin, A A

    2007-02-05

    The Center for Applied Scientific Computing (CASC) and the LLNL Climate and Carbon Science Group of Energy and Environment (E and E) are working together to improve predictions of future climate by applying the best available computational methods and computer resources to this problem. Over the last decade, researchers at the Lawrence Livermore National Laboratory (LLNL) have developed a number of climate models that provide state-of-the-art simulations on a wide variety of massively parallel computers. We are now developing and applying a second generation of high-performance climate models. Through the addition of relevant physical processes, we are developing an earth systems modeling capability as well.

  15. "Computational Modeling of Actinide Complexes"

    SciTech Connect

    Balasubramanian, K

    2007-03-07

    We will present our recent studies on computational actinide chemistry of complexes which are not only interesting from the standpoint of actinide coordination chemistry but also of relevance to environmental management of high-level nuclear wastes. We will be discussing our recent collaborative efforts with Professor Heino Nitsche of LBNL whose research group has been actively carrying out experimental studies on these species. Computations of actinide complexes are also quintessential to our understanding of the complexes found in geochemical, biochemical environments and actinide chemistry relevant to advanced nuclear systems. In particular we have been studying uranyl, plutonyl, and Cm(III) complexes are in aqueous solution. These studies are made with a variety of relativistic methods such as coupled cluster methods, DFT, and complete active space multi-configuration self-consistent-field (CASSCF) followed by large-scale CI computations and relativistic CI (RCI) computations up to 60 million configurations. Our computational studies on actinide complexes were motivated by ongoing EXAFS studies of speciated complexes in geo and biochemical environments carried out by Prof Heino Nitsche's group at Berkeley, Dr. David Clark at Los Alamos and Dr. Gibson's work on small actinide molecules at ORNL. The hydrolysis reactions of urnayl, neputyl and plutonyl complexes have received considerable attention due to their geochemical and biochemical importance but the results of free energies in solution and the mechanism of deprotonation have been topic of considerable uncertainty. We have computed deprotonating and migration of one water molecule from the first solvation shell to the second shell in UO{sub 2}(H{sub 2}O){sub 5}{sup 2+}, UO{sub 2}(H{sub 2}O){sub 5}{sup 2+}NpO{sub 2}(H{sub 2}O){sub 6}{sup +}, and PuO{sub 2}(H{sub 2}O){sub 5}{sup 2+} complexes. Our computed Gibbs free energy(7.27 kcal/m) in solution for the first time agrees with the experiment (7.1 kcal

  16. COLD-SAT Dynamic Model Computer Code

    NASA Technical Reports Server (NTRS)

    Bollenbacher, G.; Adams, N. S.

    1995-01-01

    COLD-SAT Dynamic Model (CSDM) computer code implements six-degree-of-freedom, rigid-body mathematical model for simulation of spacecraft in orbit around Earth. Investigates flow dynamics and thermodynamics of subcritical cryogenic fluids in microgravity. Consists of three parts: translation model, rotation model, and slosh model. Written in FORTRAN 77.

  17. Applications of computer modeling to fusion research

    SciTech Connect

    Dawson, J.M.

    1989-01-01

    Progress achieved during this report period is presented on the following topics: Development and application of gyrokinetic particle codes to tokamak transport, development of techniques to take advantage of parallel computers; model dynamo and bootstrap current drive; and in general maintain our broad-based program in basic plasma physics and computer modeling.

  18. Leverage points in a computer model

    NASA Astrophysics Data System (ADS)

    Janošek, Michal

    2016-06-01

    This article is focused on the analysis of the leverage points (developed by D. Meadows) in a computer model. The goal is to find out if there is a possibility to find these points of leverage in a computer model (on the example of a predator-prey model) and to determine how the particular parameters, their ranges and monitored variables of the model are associated with the concept of leverage points.

  19. Protalign: a 3-dimensional protein alignment assessment tool.

    PubMed

    Meads, D; Hansen, M D; Pang, A

    1999-01-01

    Protein fold recognition (sometimes called threading) is the prediction of a protein's 3-dimensional shape based on its similarity to a protein of known structure. Fold predictions are low resolution; that is, no effort is made to rotate the protein's component amino acid side chains into their correct spatial orientations. The goal is simply to recognize the protein family member that most closely resembles the target sequence of unknown structure and to create a sensible alignment of the target to the known structure (i.e., a structure-sequence alignment). To facilitate this type of structure prediction, we have designed a low resolution molecular graphics tool. ProtAlign introduces the ability to interact with and edit alignments directly in the 3-dimensional structure as well as in the usual 2-dimensional layout. It also contains several functions and features to help the user assess areas within the alignment. ProtAlign implements an open pipe architecture to allow other programs to access its molecular graphics capabilities. In addition, it is capable of "driving" other programs. Because amino acid side chain orientation is not relevant in fold recognition, we represent amino acid residues as abstract shapes or glyphs much like Lego (tm) blocks and we borrow techniques from comparative flow visualization using streamlines to provide clean depictions of the entire protein model. By creating a low resolution representation of protein structure, we are able to at least double the amount of information on the screen. At the same time, we create a view that is not as busy as the corresponding representations using traditional high resolution visualization methods which show detailed atomic structure. This eliminates distracting and possibly misleading visual clutter resulting from the mapping of protein alignment information onto a high resolution display of the known structure. This molecular graphics program is implemented in Open GL to facilitate porting to

  20. Model Railroading and Computer Fundamentals

    ERIC Educational Resources Information Center

    McCormick, John W.

    2007-01-01

    Less than one half of one percent of all processors manufactured today end up in computers. The rest are embedded in other devices such as automobiles, airplanes, trains, satellites, and nearly every modern electronic device. Developing software for embedded systems requires a greater knowledge of hardware than developing for a typical desktop…

  1. Computational modeling of peripheral pain: a commentary.

    PubMed

    Argüello, Erick J; Silva, Ricardo J; Huerta, Mónica K; Avila, René S

    2015-01-01

    This commentary is intended to find possible explanations for the low impact of computational modeling on pain research. We discuss the main strategies that have been used in building computational models for the study of pain. The analysis suggests that traditional models lack biological plausibility at some levels, they do not provide clinically relevant results, and they cannot capture the stochastic character of neural dynamics. On this basis, we provide some suggestions that may be useful in building computational models of pain with a wider range of applications. PMID:26062616

  2. A critical evaluation of secondary cancer risk models applied to Monte Carlo dose distributions of 2-dimensional, 3-dimensional conformal and hybrid intensity-modulated radiation therapy for breast cancer.

    PubMed

    Joosten, A; Bochud, F; Moeckli, R

    2014-08-21

    The comparison of radiotherapy techniques regarding secondary cancer risk has yielded contradictory results possibly stemming from the many different approaches used to estimate risk. The purpose of this study was to make a comprehensive evaluation of different available risk models applied to detailed whole-body dose distributions computed by Monte Carlo for various breast radiotherapy techniques including conventional open tangents, 3D conformal wedged tangents and hybrid intensity modulated radiation therapy (IMRT). First, organ-specific linear risk models developed by the International Commission on Radiological Protection (ICRP) and the Biological Effects of Ionizing Radiation (BEIR) VII committee were applied to mean doses for remote organs only and all solid organs. Then, different general non-linear risk models were applied to the whole body dose distribution. Finally, organ-specific non-linear risk models for the lung and breast were used to assess the secondary cancer risk for these two specific organs. A total of 32 different calculated absolute risks resulted in a broad range of values (between 0.1% and 48.5%) underlying the large uncertainties in absolute risk calculation. The ratio of risk between two techniques has often been proposed as a more robust assessment of risk than the absolute risk. We found that the ratio of risk between two techniques could also vary substantially considering the different approaches to risk estimation. Sometimes the ratio of risk between two techniques would range between values smaller and larger than one, which then translates into inconsistent results on the potential higher risk of one technique compared to another. We found however that the hybrid IMRT technique resulted in a systematic reduction of risk compared to the other techniques investigated even though the magnitude of this reduction varied substantially with the different approaches investigated. Based on the epidemiological data available, a reasonable

  3. A critical evaluation of secondary cancer risk models applied to Monte Carlo dose distributions of 2-dimensional, 3-dimensional conformal and hybrid intensity-modulated radiation therapy for breast cancer

    NASA Astrophysics Data System (ADS)

    Joosten, A.; Bochud, F.; Moeckli, R.

    2014-08-01

    The comparison of radiotherapy techniques regarding secondary cancer risk has yielded contradictory results possibly stemming from the many different approaches used to estimate risk. The purpose of this study was to make a comprehensive evaluation of different available risk models applied to detailed whole-body dose distributions computed by Monte Carlo for various breast radiotherapy techniques including conventional open tangents, 3D conformal wedged tangents and hybrid intensity modulated radiation therapy (IMRT). First, organ-specific linear risk models developed by the International Commission on Radiological Protection (ICRP) and the Biological Effects of Ionizing Radiation (BEIR) VII committee were applied to mean doses for remote organs only and all solid organs. Then, different general non-linear risk models were applied to the whole body dose distribution. Finally, organ-specific non-linear risk models for the lung and breast were used to assess the secondary cancer risk for these two specific organs. A total of 32 different calculated absolute risks resulted in a broad range of values (between 0.1% and 48.5%) underlying the large uncertainties in absolute risk calculation. The ratio of risk between two techniques has often been proposed as a more robust assessment of risk than the absolute risk. We found that the ratio of risk between two techniques could also vary substantially considering the different approaches to risk estimation. Sometimes the ratio of risk between two techniques would range between values smaller and larger than one, which then translates into inconsistent results on the potential higher risk of one technique compared to another. We found however that the hybrid IMRT technique resulted in a systematic reduction of risk compared to the other techniques investigated even though the magnitude of this reduction varied substantially with the different approaches investigated. Based on the epidemiological data available, a reasonable

  4. 3DIVS: 3-Dimensional Immersive Virtual Sculpting

    SciTech Connect

    Kuester, F; Duchaineau, M A; Hamann, B; Joy, K I; Uva, A E

    2001-10-03

    Virtual Environments (VEs) have the potential to revolutionize traditional product design by enabling the transition from conventional CAD to fully digital product development. The presented prototype system targets closing the ''digital gap'' as introduced by the need for physical models such as clay models or mockups in the traditional product design and evaluation cycle. We describe a design environment that provides an intuitive human-machine interface for the creation and manipulation of three-dimensional (3D) models in a semi-immersive design space, focusing on ease of use and increased productivity for both designer and CAD engineers.

  5. ADVANCED COMPUTATIONAL METHODS IN DOSE MODELING: APPLICATION OF COMPUTATIONAL BIOPHYSICAL TRANSPORT, COMPUTATIONAL CHEMISTRY, AND COMPUTATIONAL BIOLOGY

    EPA Science Inventory

    Computational toxicology (CompTox) leverages the significant gains in computing power and computational techniques (e.g., numerical approaches, structure-activity relationships, bioinformatics) realized over the last few years, thereby reducing costs and increasing efficiency i...

  6. Introducing Seismic Tomography with Computational Modeling

    NASA Astrophysics Data System (ADS)

    Neves, R.; Neves, M. L.; Teodoro, V.

    2011-12-01

    Learning seismic tomography principles and techniques involves advanced physical and computational knowledge. In depth learning of such computational skills is a difficult cognitive process that requires a strong background in physics, mathematics and computer programming. The corresponding learning environments and pedagogic methodologies should then involve sets of computational modelling activities with computer software systems which allow students the possibility to improve their mathematical or programming knowledge and simultaneously focus on the learning of seismic wave propagation and inverse theory. To reduce the level of cognitive opacity associated with mathematical or programming knowledge, several computer modelling systems have already been developed (Neves & Teodoro, 2010). Among such systems, Modellus is particularly well suited to achieve this goal because it is a domain general environment for explorative and expressive modelling with the following main advantages: 1) an easy and intuitive creation of mathematical models using just standard mathematical notation; 2) the simultaneous exploration of images, tables, graphs and object animations; 3) the attribution of mathematical properties expressed in the models to animated objects; and finally 4) the computation and display of mathematical quantities obtained from the analysis of images and graphs. Here we describe virtual simulations and educational exercises which enable students an easy grasp of the fundamental of seismic tomography. The simulations make the lecture more interactive and allow students the possibility to overcome their lack of advanced mathematical or programming knowledge and focus on the learning of seismological concepts and processes taking advantage of basic scientific computation methods and tools.

  7. Ranked retrieval of Computational Biology models

    PubMed Central

    2010-01-01

    Background The study of biological systems demands computational support. If targeting a biological problem, the reuse of existing computational models can save time and effort. Deciding for potentially suitable models, however, becomes more challenging with the increasing number of computational models available, and even more when considering the models' growing complexity. Firstly, among a set of potential model candidates it is difficult to decide for the model that best suits ones needs. Secondly, it is hard to grasp the nature of an unknown model listed in a search result set, and to judge how well it fits for the particular problem one has in mind. Results Here we present an improved search approach for computational models of biological processes. It is based on existing retrieval and ranking methods from Information Retrieval. The approach incorporates annotations suggested by MIRIAM, and additional meta-information. It is now part of the search engine of BioModels Database, a standard repository for computational models. Conclusions The introduced concept and implementation are, to our knowledge, the first application of Information Retrieval techniques on model search in Computational Systems Biology. Using the example of BioModels Database, it was shown that the approach is feasible and extends the current possibilities to search for relevant models. The advantages of our system over existing solutions are that we incorporate a rich set of meta-information, and that we provide the user with a relevance ranking of the models found for a query. Better search capabilities in model databases are expected to have a positive effect on the reuse of existing models. PMID:20701772

  8. Computational Medicine: Translating Models to Clinical Care

    PubMed Central

    Winslow, Raimond L.; Trayanova, Natalia; Geman, Donald; Miller, Michael I.

    2013-01-01

    Because of the inherent complexity of coupled nonlinear biological systems, the development of computational models is necessary for achieving a quantitative understanding of their structure and function in health and disease. Statistical learning is applied to high-dimensional biomolecular data to create models that describe relationships between molecules and networks. Multiscale modeling links networks to cells, organs, and organ systems. Computational approaches are used to characterize anatomic shape and its variations in health and disease. In each case, the purposes of modeling are to capture all that we know about disease and to develop improved therapies tailored to the needs of individuals. We discuss advances in computational medicine, with specific examples in the fields of cancer, diabetes, cardiology, and neurology. Advances in translating these computational methods to the clinic are described, as well as challenges in applying models for improving patient health. PMID:23115356

  9. Comprehensive computational model for thermal plasma processing

    NASA Astrophysics Data System (ADS)

    Chang, C. H.

    A new numerical model is described for simulating thermal plasmas containing entrained particles, with emphasis on plasma spraying applications. The plasma is represented as a continuum multicomponent chemically reacting ideal gas, while the particles are tracked as discrete Lagrangian entities coupled to the plasma. The overall computational model is embodied in a new computer code called LAVA. Computational results are presented from a transient simulation of alumina spraying in a turbulent argon-helium plasma jet in air environment, including torch geometry, substrate, and multiple species with chemical reactions. Plasma-particle interactions including turbulent dispersion have been modeled in a fully self-consistent manner.

  10. Modeling communication in cluster computing

    SciTech Connect

    Stoica, I.; Sultan, F.; Keyes, D.

    1995-12-01

    We introduce a model for communication costs in parallel processing environments, called the {open_quotes}hyperbolic model,{close_quotes} that generalizes two-parameter dedicated-link models in an analytically simple way. The communication system is modeled as a directed communication graph in which terminal nodes represent the application processes and internal nodes, called communication blocks (CBs), reflect the layered structure of the underlying communication architecture. A CB is characterized by a two-parameter hyperbolic function of the message size that represents the service time needed for processing the message. Rules are given for reducing a communication graph consisting of many CBs to an equivalent two-parameter form, while maintaining a good approximation for the service time. In [4] we demonstrate a tight fit of the estimates of the cost of communication based on our model with actual measurements of the communication and synchronization time between end processes. We, also show the compatibility of our model (to within a factor of 3/4) with the recently proposed LogP model.

  11. Teaching Environmental Systems Modelling Using Computer Simulation.

    ERIC Educational Resources Information Center

    Moffatt, Ian

    1986-01-01

    A computer modeling course in environmental systems and dynamics is presented. The course teaches senior undergraduates to analyze a system of interest, construct a system flow chart, and write computer programs to simulate real world environmental processes. An example is presented along with a course evaluation, figures, tables, and references.…

  12. Computer modeling of human decision making

    NASA Technical Reports Server (NTRS)

    Gevarter, William B.

    1991-01-01

    Models of human decision making are reviewed. Models which treat just the cognitive aspects of human behavior are included as well as models which include motivation. Both models which have associated computer programs, and those that do not, are considered. Since flow diagrams, that assist in constructing computer simulation of such models, were not generally available, such diagrams were constructed and are presented. The result provides a rich source of information, which can aid in construction of more realistic future simulations of human decision making.

  13. Predictive Models and Computational Embryology

    EPA Science Inventory

    EPA’s ‘virtual embryo’ project is building an integrative systems biology framework for predictive models of developmental toxicity. One schema involves a knowledge-driven adverse outcome pathway (AOP) framework utilizing information from public databases, standardized ontologies...

  14. Computer Model Locates Environmental Hazards

    NASA Technical Reports Server (NTRS)

    2008-01-01

    Catherine Huybrechts Burton founded San Francisco-based Endpoint Environmental (2E) LLC in 2005 while she was a student intern and project manager at Ames Research Center with NASA's DEVELOP program. The 2E team created the Tire Identification from Reflectance model, which algorithmically processes satellite images using turnkey technology to retain only the darkest parts of an image. This model allows 2E to locate piles of rubber tires, which often are stockpiled illegally and cause hazardous environmental conditions and fires.

  15. Enhanced absorption cycle computer model

    NASA Astrophysics Data System (ADS)

    Grossman, G.; Wilk, M.

    1993-09-01

    Absorption heat pumps have received renewed and increasing attention in the past two decades. The rising cost of electricity has made the particular features of this heat-powered cycle attractive for both residential and industrial applications. Solar-powered absorption chillers, gas-fired domestic heat pumps, and waste-heat-powered industrial temperature boosters are a few of the applications recently subjected to intensive research and development. The absorption heat pump research community has begun to search for both advanced cycles in various multistage configurations and new working fluid combinations with potential for enhanced performance and reliability. The development of working absorption systems has created a need for reliable and effective system simulations. A computer code has been developed for simulation of absorption systems at steady state in a flexible and modular form, making it possible to investigate various cycle configurations with different working fluids. The code is based on unit subroutines containing the governing equations for the system's components and property subroutines containing thermodynamic properties of the working fluids. The user conveys to the computer an image of his cycle by specifying the different subunits and their interconnections. Based on this information, the program calculates the temperature, flow rate, concentration, pressure, and vapor fraction at each state point in the system, and the heat duty at each unit, from which the coefficient of performance (COP) may be determined. This report describes the code and its operation, including improvements introduced into the present version. Simulation results are described for LiBr-H2O triple-effect cycles, LiCl-H2O solar-powered open absorption cycles, and NH3-H2O single-effect and generator-absorber heat exchange cycles. An appendix contains the user's manual.

  16. COSP - A computer model of cyclic oxidation

    NASA Technical Reports Server (NTRS)

    Lowell, Carl E.; Barrett, Charles A.; Palmer, Raymond W.; Auping, Judith V.; Probst, Hubert B.

    1991-01-01

    A computer model useful in predicting the cyclic oxidation behavior of alloys is presented. The model considers the oxygen uptake due to scale formation during the heating cycle and the loss of oxide due to spalling during the cooling cycle. The balance between scale formation and scale loss is modeled and used to predict weight change and metal loss kinetics. A simple uniform spalling model is compared to a more complex random spall site model. In nearly all cases, the simpler uniform spall model gave predictions as accurate as the more complex model. The model has been applied to several nickel-base alloys which, depending upon composition, form Al2O3 or Cr2O3 during oxidation. The model has been validated by several experimental approaches. Versions of the model that run on a personal computer are available.

  17. A new epidemic model of computer viruses

    NASA Astrophysics Data System (ADS)

    Yang, Lu-Xing; Yang, Xiaofan

    2014-06-01

    This paper addresses the epidemiological modeling of computer viruses. By incorporating the effect of removable storage media, considering the possibility of connecting infected computers to the Internet, and removing the conservative restriction on the total number of computers connected to the Internet, a new epidemic model is proposed. Unlike most previous models, the proposed model has no virus-free equilibrium and has a unique endemic equilibrium. With the aid of the theory of asymptotically autonomous systems as well as the generalized Poincare-Bendixson theorem, the endemic equilibrium is shown to be globally asymptotically stable. By analyzing the influence of different system parameters on the steady number of infected computers, a collection of policies is recommended to prohibit the virus prevalence.

  18. Computer Model Buildings Contaminated with Radioactive Material

    1998-05-19

    The RESRAD-BUILD computer code is a pathway analysis model designed to evaluate the potential radiological dose incurred by an individual who works or lives in a building contaminated with radioactive material.

  19. Applications of Computational Modeling in Cardiac Surgery

    PubMed Central

    Lee, Lik Chuan; Genet, Martin; Dang, Alan B.; Ge, Liang; Guccione, Julius M.; Ratcliffe, Mark B.

    2014-01-01

    Although computational modeling is common in many areas of science and engineering, only recently have advances in experimental techniques and medical imaging allowed this tool to be applied in cardiac surgery. Despite its infancy in cardiac surgery, computational modeling has been useful in calculating the effects of clinical devices and surgical procedures. In this review, we present several examples that demonstrate the capabilities of computational cardiac modeling in cardiac surgery. Specifically, we demonstrate its ability to simulate surgery, predict myofiber stress and pump function, and quantify changes to regional myocardial material properties. In addition, issues that would need to be resolved in order for computational modeling to play a greater role in cardiac surgery are discussed. PMID:24708036

  20. Statistical mechanical modeling: Computer simulations, analysis and applications

    NASA Astrophysics Data System (ADS)

    Subramanian, Balakrishna

    This thesis describes the applications of statistical mechanical models and tools, especially computational techniques to the study of several problems in science. We study in chapter 2, various properties of a non-equilibrium cellular automaton model, the Toom model. We obtain numerically the exponents describing the fluctuations of the interface between the two stable phases of the model. In chapter 3, we introduce a binary alloy model with three-body potentials. Unlike the usual Ising-type models with two-body interactions, this model is not symmetric in its components. We calculate the exact low temperature phase diagram using Pirogov-Sinai theory and also find the mean-field equilibrium properties of this model. We then study the kinetics of phase segregation following a quenching in this model. We find that the results are very similar to those obtained for Ising-type models with pair interactions, indicating universality. In chapter 4, we discuss the statistical properties of "Contact Maps". These maps, are used to represent three-dimensional structures of proteins in modeling problems. We find that this representation space has particular properties that make it a convenient choice. The maps representing native folds of proteins correspond to compact structures which in turn correspond to maps with low degeneracy, making it easier to translate the map into the detailed 3-dimensional structure. The early stage of formation of a river network is described in Chapter 5 using quasi-random spanning trees on a square lattice. We observe that the statistical properties generated by these models are quite similar (better than some of the earlier models) to the empirical laws and results presented by geologists for real river networks. Finally, in chapter 6 we present a brief note on our study of the problem of progression of heterogeneous breast tumors. We investigate some of the possible pathways of progression based on the traditional notions of DCIS (Ductal

  1. A rotational stereoscopic 3-dimensional movement aftereffect.

    PubMed

    Webster, W R; Panthradil, J T; Conway, D M

    1998-06-01

    A stereoscopic rotational movement aftereffect (MAE) and a stereoscopic bi-directional MAE were generated by rotation of a cyclopean random dot cylinder in depth and by movement of two cyclopean random dot planes in opposite directions, respectively. Cross-adaptational MAEs were also generated on each other, but not with stimuli lacking any disparity. Cross-adaptation MAEs were generated between stereoscopic and non-stereoscopic random dot stimuli moving in the one X/Y plane. Spontaneous reversals in direction of movement were observed with bistable stimuli lacking disparity. Two models of the middle temporal area were considered which might explain both the stereoscopic MAEs and the spontaneous reversals. PMID:9797953

  2. Computational modeling and multilevel cancer control interventions.

    PubMed

    Morrissey, Joseph P; Lich, Kristen Hassmiller; Price, Rebecca Anhang; Mandelblatt, Jeanne

    2012-05-01

    This chapter presents an overview of computational modeling as a tool for multilevel cancer care and intervention research. Model-based analyses have been conducted at various "beneath the skin" or biological scales as well as at various "above the skin" or socioecological levels of cancer care delivery. We review the basic elements of computational modeling and illustrate its applications in four cancer control intervention areas: tobacco use, colorectal cancer screening, cervical cancer screening, and racial disparities in access to breast cancer care. Most of these models have examined cancer processes and outcomes at only one or two levels. We suggest ways these models can be expanded to consider interactions involving three or more levels. Looking forward, a number of methodological, structural, and communication barriers must be overcome to create useful computational models of multilevel cancer interventions and population health. PMID:22623597

  3. Economic Analysis. Computer Simulation Models.

    ERIC Educational Resources Information Center

    Sterling Inst., Washington, DC. Educational Technology Center.

    A multimedia course in economic analysis was developed and used in conjunction with the United States Naval Academy. (See ED 043 790 and ED 043 791 for final reports of the project evaluation and development model.) This volume of the text discusses the simulation of behavioral relationships among variable elements in an economy and presents…

  4. Computational study of lattice models

    NASA Astrophysics Data System (ADS)

    Zujev, Aleksander

    This dissertation is composed of the descriptions of a few projects undertook to complete my doctorate at the University of California, Davis. Different as they are, the common feature of them is that they all deal with simulations of lattice models, and physics which results from interparticle interactions. As an example, both the Feynman-Kikuchi model (Chapter 3) and Bose-Fermi mixture (Chapter 4) deal with the conditions under which superfluid transitions occur. The dissertation is divided into two parts. Part I (Chapters 1-2) is theoretical. It describes the systems we study - superfluidity and particularly superfluid helium, and optical lattices. The numerical methods of working with them are described. The use of Monte Carlo methods is another unifying theme of the different projects in this thesis. Part II (Chapters 3-6) deals with applications. It consists of 4 chapters describing different projects. Two of them, Feynman-Kikuchi model, and Bose-Fermi mixture are finished and published. The work done on t - J model, described in Chapter 5, is more preliminary, and the project is far from complete. A preliminary report on it was given on 2009 APS March meeting. The Isentropic project, described in the last chapter, is finished. A report on it was given on 2010 APS March meeting, and a paper is in preparation. The quantum simulation program used for Bose-Fermi mixture project was written by our collaborators Valery Rousseau and Peter Denteneer. I had written my own code for the other projects.

  5. Computational Methods to Model Persistence.

    PubMed

    Vandervelde, Alexandra; Loris, Remy; Danckaert, Jan; Gelens, Lendert

    2016-01-01

    Bacterial persister cells are dormant cells, tolerant to multiple antibiotics, that are involved in several chronic infections. Toxin-antitoxin modules play a significant role in the generation of such persister cells. Toxin-antitoxin modules are small genetic elements, omnipresent in the genomes of bacteria, which code for an intracellular toxin and its neutralizing antitoxin. In the past decade, mathematical modeling has become an important tool to study the regulation of toxin-antitoxin modules and their relation to the emergence of persister cells. Here, we provide an overview of several numerical methods to simulate toxin-antitoxin modules. We cover both deterministic modeling using ordinary differential equations and stochastic modeling using stochastic differential equations and the Gillespie method. Several characteristics of toxin-antitoxin modules such as protein production and degradation, negative autoregulation through DNA binding, toxin-antitoxin complex formation and conditional cooperativity are gradually integrated in these models. Finally, by including growth rate modulation, we link toxin-antitoxin module expression to the generation of persister cells. PMID:26468111

  6. Parallel computing in atmospheric chemistry models

    SciTech Connect

    Rotman, D.

    1996-02-01

    Studies of atmospheric chemistry are of high scientific interest, involve computations that are complex and intense, and require enormous amounts of I/O. Current supercomputer computational capabilities are limiting the studies of stratospheric and tropospheric chemistry and will certainly not be able to handle the upcoming coupled chemistry/climate models. To enable such calculations, the authors have developed a computing framework that allows computations on a wide range of computational platforms, including massively parallel machines. Because of the fast paced changes in this field, the modeling framework and scientific modules have been developed to be highly portable and efficient. Here, the authors present the important features of the framework and focus on the atmospheric chemistry module, named IMPACT, and its capabilities. Applications of IMPACT to aircraft studies will be presented.

  7. A Computational Framework for Realistic Retina Modeling.

    PubMed

    Martínez-Cañada, Pablo; Morillas, Christian; Pino, Begoña; Ros, Eduardo; Pelayo, Francisco

    2016-11-01

    Computational simulations of the retina have led to valuable insights about the biophysics of its neuronal activity and processing principles. A great number of retina models have been proposed to reproduce the behavioral diversity of the different visual processing pathways. While many of these models share common computational stages, previous efforts have been more focused on fitting specific retina functions rather than generalizing them beyond a particular model. Here, we define a set of computational retinal microcircuits that can be used as basic building blocks for the modeling of different retina mechanisms. To validate the hypothesis that similar processing structures may be repeatedly found in different retina functions, we implemented a series of retina models simply by combining these computational retinal microcircuits. Accuracy of the retina models for capturing neural behavior was assessed by fitting published electrophysiological recordings that characterize some of the best-known phenomena observed in the retina: adaptation to the mean light intensity and temporal contrast, and differential motion sensitivity. The retinal microcircuits are part of a new software platform for efficient computational retina modeling from single-cell to large-scale levels. It includes an interface with spiking neural networks that allows simulation of the spiking response of ganglion cells and integration with models of higher visual areas. PMID:27354192

  8. Computer Modeling of Direct Metal Laser Sintering

    NASA Technical Reports Server (NTRS)

    Cross, Matthew

    2014-01-01

    A computational approach to modeling direct metal laser sintering (DMLS) additive manufacturing process is presented. The primary application of the model is for determining the temperature history of parts fabricated using DMLS to evaluate residual stresses found in finished pieces and to assess manufacturing process strategies to reduce part slumping. The model utilizes MSC SINDA as a heat transfer solver with imbedded FORTRAN computer code to direct laser motion, apply laser heating as a boundary condition, and simulate the addition of metal powder layers during part fabrication. Model results are compared to available data collected during in situ DMLS part manufacture.

  9. Computing a Comprehensible Model for Spam Filtering

    NASA Astrophysics Data System (ADS)

    Ruiz-Sepúlveda, Amparo; Triviño-Rodriguez, José L.; Morales-Bueno, Rafael

    In this paper, we describe the application of the Desicion Tree Boosting (DTB) learning model to spam email filtering.This classification task implies the learning in a high dimensional feature space. So, it is an example of how the DTB algorithm performs in such feature space problems. In [1], it has been shown that hypotheses computed by the DTB model are more comprehensible that the ones computed by another ensemble methods. Hence, this paper tries to show that the DTB algorithm maintains the same comprehensibility of hypothesis in high dimensional feature space problems while achieving the performance of other ensemble methods. Four traditional evaluation measures (precision, recall, F1 and accuracy) have been considered for performance comparison between DTB and others models usually applied to spam email filtering. The size of the hypothesis computed by a DTB is smaller and more comprehensible than the hypothesis computed by Adaboost and Naïve Bayes.

  10. A Seafloor Benchmark for 3-dimensional Geodesy

    NASA Astrophysics Data System (ADS)

    Chadwell, C. D.; Webb, S. C.; Nooner, S. L.

    2014-12-01

    We have developed an inexpensive, permanent seafloor benchmark to increase the longevity of seafloor geodetic measurements. The benchmark provides a physical tie to the sea floor lasting for decades (perhaps longer) on which geodetic sensors can be repeatedly placed and removed with millimeter resolution. Global coordinates estimated with seafloor geodetic techniques will remain attached to the benchmark allowing for the interchange of sensors as they fail or become obsolete, or for the sensors to be removed and used elsewhere, all the while maintaining a coherent series of positions referenced to the benchmark. The benchmark has been designed to free fall from the sea surface with transponders attached. The transponder can be recalled via an acoustic command sent from the surface to release from the benchmark and freely float to the sea surface for recovery. The duration of the sensor attachment to the benchmark will last from a few days to a few years depending on the specific needs of the experiment. The recovered sensors are then available to be reused at other locations, or again at the same site in the future. Three pins on the sensor frame mate precisely and unambiguously with three grooves on the benchmark. To reoccupy a benchmark a Remotely Operated Vehicle (ROV) uses its manipulator arm to place the sensor pins into the benchmark grooves. In June 2014 we deployed four benchmarks offshore central Oregon. We used the ROV Jason to successfully demonstrate the removal and replacement of packages onto the benchmark. We will show the benchmark design and its operational capabilities. Presently models of megathrust slip within the Cascadia Subduction Zone (CSZ) are mostly constrained by the sub-aerial GPS vectors from the Plate Boundary Observatory, a part of Earthscope. More long-lived seafloor geodetic measures are needed to better understand the earthquake and tsunami risk associated with a large rupture of the thrust fault within the Cascadia subduction zone

  11. A computational model of the cerebellum

    SciTech Connect

    Travis, B.J.

    1990-01-01

    The need for realistic computational models of neural microarchitecture is growing increasingly apparent. While traditional neural networks have made inroads on understanding cognitive functions, more realism (in the form of structural and connectivity constraints) is required to explain processes such as vision or motor control. A highly detailed computational model of mammalian cerebellum has been developed. It is being compared to physiological recordings for validation purposes. The model is also being used to study the relative contributions of each component to cerebellar processing. 28 refs., 4 figs.

  12. Mechanistic models in computational social science

    NASA Astrophysics Data System (ADS)

    Holme, Petter; Liljeros, Fredrik

    2015-09-01

    Quantitative social science is not only about regression analysis or, in general, data inference. Computer simulations of social mechanisms have an over 60 years long history. They have been used for many different purposes—to test scenarios, to test the consistency of descriptive theories (proof-of-concept models), to explore emergent phenomena, for forecasting, etc. In this essay, we sketch these historical developments, the role of mechanistic models in the social sciences and the influences from the natural and formal sciences. We argue that mechanistic computational models form a natural common ground for social and natural sciences, and look forward to possible future information flow across the social-natural divide.

  13. Teaching Forest Planning with Computer Models

    ERIC Educational Resources Information Center

    Howard, Richard A.; Magid, David

    1977-01-01

    This paper describes a series of FORTRAN IV computer models which are the content-oriented subject matter for a college course in forest planning. The course objectives, the planning problem, and the ten planning aid models are listed. Student comments and evaluation of the program are included. (BT)

  14. Parallel computing for automated model calibration

    SciTech Connect

    Burke, John S.; Danielson, Gary R.; Schulz, Douglas A.; Vail, Lance W.

    2002-07-29

    Natural resources model calibration is a significant burden on computing and staff resources in modeling efforts. Most assessments must consider multiple calibration objectives (for example magnitude and timing of stream flow peak). An automated calibration process that allows real time updating of data/models, allowing scientists to focus effort on improving models is needed. We are in the process of building a fully featured multi objective calibration tool capable of processing multiple models cheaply and efficiently using null cycle computing. Our parallel processing and calibration software routines have been generically, but our focus has been on natural resources model calibration. So far, the natural resources models have been friendly to parallel calibration efforts in that they require no inter-process communication, only need a small amount of input data and only output a small amount of statistical information for each calibration run. A typical auto calibration run might involve running a model 10,000 times with a variety of input parameters and summary statistical output. In the past model calibration has been done against individual models for each data set. The individual model runs are relatively fast, ranging from seconds to minutes. The process was run on a single computer using a simple iterative process. We have completed two Auto Calibration prototypes and are currently designing a more feature rich tool. Our prototypes have focused on running the calibration in a distributed computing cross platform environment. They allow incorporation of?smart? calibration parameter generation (using artificial intelligence processing techniques). Null cycle computing similar to SETI@Home has also been a focus of our efforts. This paper details the design of the latest prototype and discusses our plans for the next revision of the software.

  15. Computer Modeling and Visualization in Design Technology: An Instructional Model.

    ERIC Educational Resources Information Center

    Guidera, Stan

    2002-01-01

    Design visualization can increase awareness of issues related to perceptual and psychological aspects of design that computer-assisted design and computer modeling may not allow. A pilot university course developed core skills in modeling and simulation using visualization. Students were consistently able to meet course objectives. (Contains 16…

  16. Human systems dynamics: Toward a computational model

    NASA Astrophysics Data System (ADS)

    Eoyang, Glenda H.

    2012-09-01

    A robust and reliable computational model of complex human systems dynamics could support advancements in theory and practice for social systems at all levels, from intrapersonal experience to global politics and economics. Models of human interactions have evolved from traditional, Newtonian systems assumptions, which served a variety of practical and theoretical needs of the past. Another class of models has been inspired and informed by models and methods from nonlinear dynamics, chaos, and complexity science. None of the existing models, however, is able to represent the open, high dimension, and nonlinear self-organizing dynamics of social systems. An effective model will represent interactions at multiple levels to generate emergent patterns of social and political life of individuals and groups. Existing models and modeling methods are considered and assessed against characteristic pattern-forming processes in observed and experienced phenomena of human systems. A conceptual model, CDE Model, based on the conditions for self-organizing in human systems, is explored as an alternative to existing models and methods. While the new model overcomes the limitations of previous models, it also provides an explanatory base and foundation for prospective analysis to inform real-time meaning making and action taking in response to complex conditions in the real world. An invitation is extended to readers to engage in developing a computational model that incorporates the assumptions, meta-variables, and relationships of this open, high dimension, and nonlinear conceptual model of the complex dynamics of human systems.

  17. Concepts to accelerate water balance model computation

    NASA Astrophysics Data System (ADS)

    Gronz, Oliver; Casper, Markus; Gemmar, Peter

    2010-05-01

    Computation time of water balance models has decreased with the increasing performance of CPUs within the last decades. Often, these advantages have been used to enhance the models, e. g. by enlarging spatial resolution or by using smaller simulation time steps. During the last few years, CPU development tended to focus on strong multi core concepts rather than 'simply being generally faster'. Additionally, computer clusters or even computer clouds have become much more commonly available. All these facts again extend our degrees of freedom in simulating water balance models - if the models are able to efficiently use the computer infrastructure. In the following, we present concepts to optimize especially repeated runs and we generally discuss concepts of parallel computing opportunities. Surveyed model In our examinations, we focused on the water balance model LARSIM. In this model, the catchment is subdivided into elements, each of which representing a certain section of a river and its contributory area. Each element is again subdivided into single compartments of homogeneous land use. During the simulation, the relevant hydrological processes are simulated individually for each compartment. The simulated runoff of all compartments leads into the river channel of the corresponding element. Finally, channel routing is simulated for all elements. Optimizing repeated runs During a typical simulation, several input files have to be read before simulation starts: the model structure, the initial model state and meteorological input files. Furthermore, some calculations have to be solved, like interpolating meteorological values. Thus, e. g. the application of Monte Carlo methods will typically use the following algorithm: 1) choose parameters, 2) set parameters in control files, 3) run model, 4) save result, 5) repeat from step 1. Obviously, the third step always includes the previously mentioned steps of reading and preprocessing. Consequently, the model can be

  18. CDF computing and event data models

    SciTech Connect

    Snider, F.D.; /Fermilab

    2005-12-01

    The authors discuss the computing systems, usage patterns and event data models used to analyze Run II data from the CDF-II experiment at the Tevatron collider. A critical analysis of the current implementation and design reveals some of the stronger and weaker elements of the system, which serve as lessons for future experiments. They highlight a need to maintain simplicity for users in the face of an increasingly complex computing environment.

  19. Light reflection models for computer graphics.

    PubMed

    Greenberg, D P

    1989-04-14

    During the past 20 years, computer graphic techniques for simulating the reflection of light have progressed so that today images of photorealistic quality can be produced. Early algorithms considered direct lighting only, but global illumination phenomena with indirect lighting, surface interreflections, and shadows can now be modeled with ray tracing, radiosity, and Monte Carlo simulations. This article describes the historical development of computer graphic algorithms for light reflection and pictorially illustrates what will be commonly available in the near future. PMID:17835348

  20. Computational modelling of schizophrenic symptoms: basic issues.

    PubMed

    Tretter, F; an der Heiden, U; Rujescu, D; Pogarell, O

    2012-05-01

    Emerging "(computational) systems medicine" challenges neuropsychiatry regarding the development of heuristic computational brain models which help to explore symptoms and syndromes of mental disorders. This methodology of exploratory modelling of mental functions and processes and of their pathology requires a clear and operational definition of the target variable (explanandum). In the case of schizophrenia, a complex and heterogeneous disorder, single psychopathological key symptoms such as working memory deficiency, hallucination or delusion need to be defined first. Thereafter, measures of brain structures can be used in a multilevel view as biological correlates of these symptoms. Then, in order to formally "explain" the symptoms, a qualitative model can be constructed. In another step, numerical values have to be integrated into the model and exploratory computer simulations can be performed. Normal and pathological functioning is to be tested in computer experiments allowing the formulation of new hypotheses and questions for empirical research. However, the crucial challenge is to point out the appropriate degree of complexity (or simplicity) of these models, which is required in order to achieve an epistemic value that might lead to new hypothetical explanatory models and could stimulate new empirical and theoretical research. Some outlines of these methodological issues are discussed here, regarding the fact that measurements alone are not sufficient to build models. PMID:22565230

  1. Do's and Don'ts of Computer Models for Planning

    ERIC Educational Resources Information Center

    Hammond, John S., III

    1974-01-01

    Concentrates on the managerial issues involved in computer planning models. Describes what computer planning models are and the process by which managers can increase the likelihood of computer planning models being successful in their organizations. (Author/DN)

  2. Solving stochastic epidemiological models using computer algebra

    NASA Astrophysics Data System (ADS)

    Hincapie, Doracelly; Ospina, Juan

    2011-06-01

    Mathematical modeling in Epidemiology is an important tool to understand the ways under which the diseases are transmitted and controlled. The mathematical modeling can be implemented via deterministic or stochastic models. Deterministic models are based on short systems of non-linear ordinary differential equations and the stochastic models are based on very large systems of linear differential equations. Deterministic models admit complete, rigorous and automatic analysis of stability both local and global from which is possible to derive the algebraic expressions for the basic reproductive number and the corresponding epidemic thresholds using computer algebra software. Stochastic models are more difficult to treat and the analysis of their properties requires complicated considerations in statistical mathematics. In this work we propose to use computer algebra software with the aim to solve epidemic stochastic models such as the SIR model and the carrier-borne model. Specifically we use Maple to solve these stochastic models in the case of small groups and we obtain results that do not appear in standard textbooks or in the books updated on stochastic models in epidemiology. From our results we derive expressions which coincide with those obtained in the classical texts using advanced procedures in mathematical statistics. Our algorithms can be extended for other stochastic models in epidemiology and this shows the power of computer algebra software not only for analysis of deterministic models but also for the analysis of stochastic models. We also perform numerical simulations with our algebraic results and we made estimations for the basic parameters as the basic reproductive rate and the stochastic threshold theorem. We claim that our algorithms and results are important tools to control the diseases in a globalized world.

  3. Aeroelastic Model Structure Computation for Envelope Expansion

    NASA Technical Reports Server (NTRS)

    Kukreja, Sunil L.

    2007-01-01

    Structure detection is a procedure for selecting a subset of candidate terms, from a full model description, that best describes the observed output. This is a necessary procedure to compute an efficient system description which may afford greater insight into the functionality of the system or a simpler controller design. Structure computation as a tool for black-box modelling may be of critical importance in the development of robust, parsimonious models for the flight-test community. Moreover, this approach may lead to efficient strategies for rapid envelope expansion which may save significant development time and costs. In this study, a least absolute shrinkage and selection operator (LASSO) technique is investigated for computing efficient model descriptions of nonlinear aeroelastic systems. The LASSO minimises the residual sum of squares by the addition of an l(sub 1) penalty term on the parameter vector of the traditional 2 minimisation problem. Its use for structure detection is a natural extension of this constrained minimisation approach to pseudolinear regression problems which produces some model parameters that are exactly zero and, therefore, yields a parsimonious system description. Applicability of this technique for model structure computation for the F/A-18 Active Aeroelastic Wing using flight test data is shown for several flight conditions (Mach numbers) by identifying a parsimonious system description with a high percent fit for cross-validated data.

  4. Aeroelastic Model Structure Computation for Envelope Expansion

    NASA Technical Reports Server (NTRS)

    Kukreja, Sunil L.

    2007-01-01

    Structure detection is a procedure for selecting a subset of candidate terms, from a full model description, that best describes the observed output. This is a necessary procedure to compute an efficient system description which may afford greater insight into the functionality of the system or a simpler controller design. Structure computation as a tool for black-box modeling may be of critical importance in the development of robust, parsimonious models for the flight-test community. Moreover, this approach may lead to efficient strategies for rapid envelope expansion that may save significant development time and costs. In this study, a least absolute shrinkage and selection operator (LASSO) technique is investigated for computing efficient model descriptions of non-linear aeroelastic systems. The LASSO minimises the residual sum of squares with the addition of an l(Sub 1) penalty term on the parameter vector of the traditional l(sub 2) minimisation problem. Its use for structure detection is a natural extension of this constrained minimisation approach to pseudo-linear regression problems which produces some model parameters that are exactly zero and, therefore, yields a parsimonious system description. Applicability of this technique for model structure computation for the F/A-18 (McDonnell Douglas, now The Boeing Company, Chicago, Illinois) Active Aeroelastic Wing project using flight test data is shown for several flight conditions (Mach numbers) by identifying a parsimonious system description with a high percent fit for cross-validated data.

  5. Computational modeling of laser-tissue interaction

    SciTech Connect

    London, R.A.; Amendt, P.; Bailey, D.S.; Eder, D.C.; Maitland, D.J.; Glinsky, M.E.; Strauss, M.; Zimmerman, G.B.

    1996-05-01

    Computational modeling can play an important role both in designing laser-tissue interaction experiments and in understanding the underlying mechanisms. This can lead to more rapid and less expensive development if new procedures and instruments, and a better understanding of their operation. We have recently directed computer programs and associated expertise developed over many years to model high intensity laser-matter interactions for fusion research towards laser-tissue interaction problem. A program called LATIS is being developed to specifically treat laser-tissue interaction phenomena, such as highly scattering light transport, thermal coagulation, and hydrodynamic motion.

  6. Computational algebraic geometry of epidemic models

    NASA Astrophysics Data System (ADS)

    Rodríguez Vega, Martín.

    2014-06-01

    Computational Algebraic Geometry is applied to the analysis of various epidemic models for Schistosomiasis and Dengue, both, for the case without control measures and for the case where control measures are applied. The models were analyzed using the mathematical software Maple. Explicitly the analysis is performed using Groebner basis, Hilbert dimension and Hilbert polynomials. These computational tools are included automatically in Maple. Each of these models is represented by a system of ordinary differential equations, and for each model the basic reproductive number (R0) is calculated. The effects of the control measures are observed by the changes in the algebraic structure of R0, the changes in Groebner basis, the changes in Hilbert dimension, and the changes in Hilbert polynomials. It is hoped that the results obtained in this paper become of importance for designing control measures against the epidemic diseases described. For future researches it is proposed the use of algebraic epidemiology to analyze models for airborne and waterborne diseases.

  7. Computer modeling of commercial refrigerated warehouse facilities

    SciTech Connect

    Nicoulin, C.V.; Jacobs, P.C.; Tory, S.

    1997-07-01

    The use of computer models to simulate the energy performance of large commercial refrigeration systems typically found in food processing facilities is an area of engineering practice that has seen little development to date. Current techniques employed in predicting energy consumption by such systems have focused on temperature bin methods of analysis. Existing simulation tools such as DOE2 are designed to model commercial buildings and grocery store refrigeration systems. The HVAC and Refrigeration system performance models in these simulations tools model equipment common to commercial buildings and groceries, and respond to energy-efficiency measures likely to be applied to these building types. The applicability of traditional building energy simulation tools to model refrigerated warehouse performance and analyze energy-saving options is limited. The paper will present the results of modeling work undertaken to evaluate energy savings resulting from incentives offered by a California utility to its Refrigerated Warehouse Program participants. The TRNSYS general-purpose transient simulation model was used to predict facility performance and estimate program savings. Custom TRNSYS components were developed to address modeling issues specific to refrigerated warehouse systems, including warehouse loading door infiltration calculations, an evaporator model, single-state and multi-stage compressor models, evaporative condenser models, and defrost energy requirements. The main focus of the paper will be on the modeling approach. The results from the computer simulations, along with overall program impact evaluation results, will also be presented.

  8. Video Based Sensor for Tracking 3-Dimensional Targets

    NASA Technical Reports Server (NTRS)

    Howard, R. T.; Book, Michael L.; Bryan, Thomas C.

    2000-01-01

    Video-Based Sensor for Tracking 3-Dimensional Targets The National Aeronautics and Space Administration's (NASAs) Marshall Space Flight Center (MSFC) has been developing and testing video-based sensors for automated spacecraft guidance for several years, and the next generation of video sensor will have tracking rates up to 100 Hz and will be able to track multiple reflectors and targets. The Video Guidance Sensor (VGS) developed over the past several years has performed well in testing and met the objective of being used as the terminal guidance sensor for an automated rendezvous and capture system. The first VGS was successfully tested in closed-loop 3-degree-of-freedom (3- DOF) tests in 1989 and then in 6-DOF open-loop tests in 1992 and closed-loop tests in 1993-4. Development and testing continued, and in 1995 approval was given to test the VGS in an experiment on the Space Shuttle. The VGS flew in 1997 and in 1998, performing well for both flights. During the development and testing before, during, and after the flight experiments, numerous areas for improvement were found. The VGS was developed with a sensor head and an electronics box, connected by cables. The VGS was used in conjunction with a target that had wavelength-filtered retro-reflectors in a specific pattern, The sensor head contained the laser diodes, video camera, and heaters and coolers. The electronics box contained a frame grabber, image processor, the electronics to control the components in the sensor head, the communications electronics, and the power supply. The system works by sequentially firing two different wavelengths of laser diodes at the target and processing the two images. Since the target only reflects one wavelength, it shows up well in one image and not at all in the other. Because the target's dimensions are known, the relative positions and attitudes of the target and the sensor can be computed from the spots reflected from the target. The system was designed to work from I

  9. Computational Process Modeling for Additive Manufacturing

    NASA Technical Reports Server (NTRS)

    Bagg, Stacey; Zhang, Wei

    2014-01-01

    Computational Process and Material Modeling of Powder Bed additive manufacturing of IN 718. Optimize material build parameters with reduced time and cost through modeling. Increase understanding of build properties. Increase reliability of builds. Decrease time to adoption of process for critical hardware. Potential to decrease post-build heat treatments. Conduct single-track and coupon builds at various build parameters. Record build parameter information and QM Meltpool data. Refine Applied Optimization powder bed AM process model using data. Report thermal modeling results. Conduct metallography of build samples. Calibrate STK models using metallography findings. Run STK models using AO thermal profiles and report STK modeling results. Validate modeling with additional build. Photodiode Intensity measurements highly linear with power input. Melt Pool Intensity highly correlated to Melt Pool Size. Melt Pool size and intensity increase with power. Applied Optimization will use data to develop powder bed additive manufacturing process model.

  10. Computational Spectrum of Agent Model Simulation

    SciTech Connect

    Perumalla, Kalyan S

    2010-01-01

    The study of human social behavioral systems is finding renewed interest in military, homeland security and other applications. Simulation is the most generally applied approach to studying complex scenarios in such systems. Here, we outline some of the important considerations that underlie the computational aspects of simulation-based study of human social systems. The fundamental imprecision underlying questions and answers in social science makes it necessary to carefully distinguish among different simulation problem classes and to identify the most pertinent set of computational dimensions associated with those classes. We identify a few such classes and present their computational implications. The focus is then shifted to the most challenging combinations in the computational spectrum, namely, large-scale entity counts at moderate to high levels of fidelity. Recent developments in furthering the state-of-the-art in these challenging cases are outlined. A case study of large-scale agent simulation is provided in simulating large numbers (millions) of social entities at real-time speeds on inexpensive hardware. Recent computational results are identified that highlight the potential of modern high-end computing platforms to push the envelope with respect to speed, scale and fidelity of social system simulations. Finally, the problem of shielding the modeler or domain expert from the complex computational aspects is discussed and a few potential solution approaches are identified.

  11. A Novel Method of Orbital Floor Reconstruction Using Virtual Planning, 3-Dimensional Printing, and Autologous Bone.

    PubMed

    Vehmeijer, Maarten; van Eijnatten, Maureen; Liberton, Niels; Wolff, Jan

    2016-08-01

    Fractures of the orbital floor are often a result of traffic accidents or interpersonal violence. To date, numerous materials and methods have been used to reconstruct the orbital floor. However, simple and cost-effective 3-dimensional (3D) printing technologies for the treatment of orbital floor fractures are still sought. This study describes a simple, precise, cost-effective method of treating orbital fractures using 3D printing technologies in combination with autologous bone. Enophthalmos and diplopia developed in a 64-year-old female patient with an orbital floor fracture. A virtual 3D model of the fracture site was generated from computed tomography images of the patient. The fracture was virtually closed using spline interpolation. Furthermore, a virtual individualized mold of the defect site was created, which was manufactured using an inkjet printer. The tangible mold was subsequently used during surgery to sculpture an individualized autologous orbital floor implant. Virtual reconstruction of the orbital floor and the resulting mold enhanced the overall accuracy and efficiency of the surgical procedure. The sculptured autologous orbital floor implant showed an excellent fit in vivo. The combination of virtual planning and 3D printing offers an accurate and cost-effective treatment method for orbital floor fractures. PMID:27137437

  12. Global detailed geoid computation and model analysis

    NASA Technical Reports Server (NTRS)

    Marsh, J. G.; Vincent, S.

    1974-01-01

    Comparisons and analyses were carried out through the use of detailed gravimetric geoids which we have computed by combining models with a set of 26,000 1 deg x 1 deg mean free air gravity anomalies. The accuracy of the detailed gravimetric geoid computed using the most recent Goddard earth model (GEM-6) in conjunction with the set of 1 deg x 1 deg mean free air gravity anomalies is assessed at + or - 2 meters on the continents of North America, Europe, and Australia, 2 to 5 meters in the Northeast Pacific and North Atlantic areas, and 5 to 10 meters in other areas where surface gravity data are sparse. The R.M.S. differences between this detailed geoid and the detailed geoids computed using the other satellite gravity fields in conjuction with same set of surface data range from 3 to 7 meters.

  13. Integrating interactive computational modeling in biology curricula.

    PubMed

    Helikar, Tomáš; Cutucache, Christine E; Dahlquist, Lauren M; Herek, Tyler A; Larson, Joshua J; Rogers, Jim A

    2015-03-01

    While the use of computer tools to simulate complex processes such as computer circuits is normal practice in fields like engineering, the majority of life sciences/biological sciences courses continue to rely on the traditional textbook and memorization approach. To address this issue, we explored the use of the Cell Collective platform as a novel, interactive, and evolving pedagogical tool to foster student engagement, creativity, and higher-level thinking. Cell Collective is a Web-based platform used to create and simulate dynamical models of various biological processes. Students can create models of cells, diseases, or pathways themselves or explore existing models. This technology was implemented in both undergraduate and graduate courses as a pilot study to determine the feasibility of such software at the university level. First, a new (In Silico Biology) class was developed to enable students to learn biology by "building and breaking it" via computer models and their simulations. This class and technology also provide a non-intimidating way to incorporate mathematical and computational concepts into a class with students who have a limited mathematical background. Second, we used the technology to mediate the use of simulations and modeling modules as a learning tool for traditional biological concepts, such as T cell differentiation or cell cycle regulation, in existing biology courses. Results of this pilot application suggest that there is promise in the use of computational modeling and software tools such as Cell Collective to provide new teaching methods in biology and contribute to the implementation of the "Vision and Change" call to action in undergraduate biology education by providing a hands-on approach to biology. PMID:25790483

  14. Computational modeling of dilute biomass slurries

    NASA Astrophysics Data System (ADS)

    Sprague, Michael; Stickel, Jonathan; Fischer, Paul; Lischeske, James

    2012-11-01

    The biochemical conversion of lignocellulosic biomass to liquid transportation fuels involves a multitude of physical and chemical transformations that occur in several distinct processing steps (e.g., pretreatment, enzymatic hydrolysis, and fermentation). In this work we focus on development of a computational fluid dynamics model of a dilute biomass slurry, which is a highly viscous particle-laden fluid that can exhibit yield-stress behavior. Here, we model the biomass slurry as a generalized Newtonian fluid that accommodates biomass transport due to settling and biomass-concentration-dependent viscosity. Within a typical mixing vessel, viscosity can vary over several orders of magnitude. We solve the model with the Nek5000 spectral-finite-element solver in a simple vane mixer, and validate against experimental results. This work is directed towards our goal of a fully coupled computational model of fluid dynamics and reaction kinetics for the enzymatic hydrolysis of lignocellulosic biomass.

  15. Computing Linear Mathematical Models Of Aircraft

    NASA Technical Reports Server (NTRS)

    Duke, Eugene L.; Antoniewicz, Robert F.; Krambeer, Keith D.

    1991-01-01

    Derivation and Definition of Linear Aircraft Model (LINEAR) computer program provides user with powerful, and flexible, standard, documented, and verified software tool for linearization of mathematical models of aerodynamics of aircraft. Intended for use in software tool to drive linear analysis of stability and design of control laws for aircraft. Capable of both extracting such linearized engine effects as net thrust, torque, and gyroscopic effects, and including these effects in linear model of system. Designed to provide easy selection of state, control, and observation variables used in particular model. Also provides flexibility of allowing alternate formulations of both state and observation equations. Written in FORTRAN.

  16. Computer Modelling of Photochemical Smog Formation

    ERIC Educational Resources Information Center

    Huebert, Barry J.

    1974-01-01

    Discusses a computer program that has been used in environmental chemistry courses as an example of modelling as a vehicle for teaching chemical dynamics, and as a demonstration of some of the factors which affect the production of smog. (Author/GS)

  17. Applications of computational modeling in ballistics

    NASA Technical Reports Server (NTRS)

    Sturek, Walter B.

    1987-01-01

    The development of the technology of ballistics as applied to gun launched Army weapon systems is the main objective of research at the U.S. Army Ballistic Research Laboratory (BRL). The primary research programs at the BRL consist of three major ballistic disciplines: exterior, interior, and terminal. The work done at the BRL in these areas was traditionally highly dependent on experimental testing. A considerable emphasis was placed on the development of computational modeling to augment the experimental testing in the development cycle; however, the impact of the computational modeling to this date is modest. With the availability of supercomputer computational resources recently installed at the BRL, a new emphasis on the application of computational modeling to ballistics technology is taking place. The major application areas are outlined which are receiving considerable attention at the BRL at present and to indicate the modeling approaches involved. An attempt was made to give some information as to the degree of success achieved and indicate the areas of greatest need.

  18. Images as a basis for computer modelling

    NASA Astrophysics Data System (ADS)

    Beaufils, D.; LeTouzé, J.-C.; Blondel, F.-M.

    1994-03-01

    New computer technologies such as the graphics data tablet, video digitization and numerical methods, can be used for measurement and mathematical modelling in physics. Two programs dealing with newtonian mechanics and some of related scientific activities for A-level students are described.

  19. Informing Mechanistic Toxicology with Computational Molecular Models

    EPA Science Inventory

    Computational molecular models of chemicals interacting with biomolecular targets provides toxicologists a valuable, affordable, and sustainable source of in silico molecular level information that augments, enriches, and complements in vitro and in vivo effo...

  20. A Computational Model of Spatial Visualization Capacity

    ERIC Educational Resources Information Center

    Lyon, Don R.; Gunzelmann, Glenn; Gluck, Kevin A.

    2008-01-01

    Visualizing spatial material is a cornerstone of human problem solving, but human visualization capacity is sharply limited. To investigate the sources of this limit, we developed a new task to measure visualization accuracy for verbally-described spatial paths (similar to street directions), and implemented a computational process model to…

  1. The 3-dimensional construction of the Rae craton, central Canada

    NASA Astrophysics Data System (ADS)

    Snyder, David B.; Craven, James A.; Pilkington, Mark; Hillier, Michael J.

    2015-10-01

    Reconstruction of the 3-dimensional tectonic assembly of early continents, first as Archean cratons and then Proterozoic shields, remains poorly understood. In this paper, all readily available geophysical and geochemical data are assembled in a 3-D model with the most accurate bedrock geology in order to understand better the geometry of major structures within the Rae craton of central Canada. Analysis of geophysical observations of gravity and seismic wave speed variations revealed several lithospheric-scale discontinuities in physical properties. Where these discontinuities project upward to correlate with mapped upper crustal geological structures, the discontinuities can be interpreted as shear zones. Radiometric dating of xenoliths provides estimates of rock types and ages at depth beneath sparse kimberlite occurrences. These ages can also be correlated to surface rocks. The 3.6-2.6 Ga Rae craton comprises at least three smaller continental terranes, which "cratonized" during a granitic bloom. Cratonization probably represents final differentiation of early crust into a relatively homogeneous, uniformly thin (35-42 km), tonalite-trondhjemite-granodiorite crust with pyroxenite layers near the Moho. The peak thermotectonic event at 1.86-1.7 Ga was associated with the Hudsonian orogeny that assembled several cratons and lesser continental blocks into the Canadian Shield using a number of southeast-dipping megathrusts. This orogeny metasomatized, mineralized, and recrystallized mantle and lower crustal rocks, apparently making them more conductive by introducing or concentrating sulfides or graphite. Little evidence exists of thin slabs similar to modern oceanic lithosphere in this Precambrian construction history whereas underthrusting and wedging of continental lithosphere is inferred from multiple dipping discontinuities.

  2. A 3-Dimensional Anatomic Study of the Distal Biceps Tendon

    PubMed Central

    Walton, Christine; Li, Zhi; Pennings, Amanda; Agur, Anne; Elmaraghy, Amr

    2015-01-01

    Background Complete rupture of the distal biceps tendon from its osseous attachment is most often treated with operative intervention. Knowledge of the overall tendon morphology as well as the orientation of the collagenous fibers throughout the musculotendinous junction are key to intraoperative decision making and surgical technique in both the acute and chronic setting. Unfortunately, there is little information available in the literature. Purpose To comprehensively describe the morphology of the distal biceps tendon. Study Design Descriptive laboratory study. Methods The distal biceps terminal musculature, musculotendinous junction, and tendon were digitized in 10 cadaveric specimens and data reconstructed using 3-dimensional modeling. Results The average length, width, and thickness of the external distal biceps tendon were found to be 63.0, 6.0, and 3.0 mm, respectively. A unique expansion of the tendon fibers within the distal muscle was characterized, creating a thick collagenous network along the central component between the long and short heads. Conclusion This study documents the morphologic parameters of the native distal biceps tendon. Reconstruction may be necessary, especially in chronic distal biceps tendon ruptures, if the remaining tendon morphology is significantly compromised compared with the native distal biceps tendon. Knowledge of normal anatomical distal biceps tendon parameters may also guide the selection of a substitute graft with similar morphological characteristics. Clinical Relevance A thorough description of distal biceps tendon morphology is important to guide intraoperative decision making between primary repair and reconstruction and to better select the most appropriate graft. The detailed description of the tendinous expansion into the muscle may provide insight into better graft-weaving and suture-grasping techniques to maximize proximal graft incorporation. PMID:26665092

  3. Automating sensitivity analysis of computer models using computer calculus

    SciTech Connect

    Oblow, E.M.; Pin, F.G.

    1985-01-01

    An automated procedure for performing sensitivity analyses has been developed. The procedure uses a new FORTRAN compiler with computer calculus capabilities to generate the derivatives needed to set up sensitivity equations. The new compiler is called GRESS - Gradient Enhanced Software System. Application of the automated procedure with ''direct'' and ''adjoint'' sensitivity theory for the analysis of non-linear, iterative systems of equations is discussed. Calculational efficiency consideration and techniques for adjoint sensitivity analysis are emphasized. The new approach is found to preserve the traditional advantages of adjoint theory while removing the tedious human effort previously needed to apply this theoretical methodology. Conclusions are drawn about the applicability of the automated procedure in numerical analysis and large-scale modelling sensitivity studies. 24 refs., 2 figs.

  4. Computational Modeling: From Remote Sensing to Quantum Computing

    NASA Astrophysics Data System (ADS)

    Healy, Dennis

    2001-03-01

    Recent DARPA investments have contributed to significant advances in numerically sound and computationally efficient physics-based modeling, enabling a wide variety of applications of critical interest to the DoD and Industry. Specific examples may be found in a wide variety of applications ranging from the design and operation of advanced synthetic aperture radar systems to the virtual integrated prototyping of reactors and control loops for the manufacture of thin-film functional material systems. This talk will survey the development and application of well-conditioned fast operators for particular physical problems and their critical contributions to various real world problems. We'll conclude with an indication of how these methods may contribute to exploring the revolutionary potential of quantum information theory.

  5. Differential Cross Section Kinematics for 3-dimensional Transport Codes

    NASA Technical Reports Server (NTRS)

    Norbury, John W.; Dick, Frank

    2008-01-01

    In support of the development of 3-dimensional transport codes, this paper derives the relevant relativistic particle kinematic theory. Formulas are given for invariant, spectral and angular distributions in both the lab (spacecraft) and center of momentum frames, for collisions involving 2, 3 and n - body final states.

  6. Controlled teleportation of a 3-dimensional bipartite quantum state

    NASA Astrophysics Data System (ADS)

    Cao, Hai-Jing; Chen, Zhong-Hua; Song, He-Shan

    2008-07-01

    A controlled teleportation scheme of an unknown 3-dimensional (3D) two-particle quantum state is proposed, where a 3D Bell state and 3D GHZ state function as the quantum channel. This teleportation scheme can be directly generalized to teleport an unknown d-dimensional bipartite quantum state.

  7. Computer Model Of Fragmentation Of Atomic Nuclei

    NASA Technical Reports Server (NTRS)

    Wilson, John W.; Townsend, Lawrence W.; Tripathi, Ram K.; Norbury, John W.; KHAN FERDOUS; Badavi, Francis F.

    1995-01-01

    High Charge and Energy Semiempirical Nuclear Fragmentation Model (HZEFRG1) computer program developed to be computationally efficient, user-friendly, physics-based program for generating data bases on fragmentation of atomic nuclei. Data bases generated used in calculations pertaining to such radiation-transport applications as shielding against radiation in outer space, radiation dosimetry in outer space, cancer therapy in laboratories with beams of heavy ions, and simulation studies for designing detectors for experiments in nuclear physics. Provides cross sections for production of individual elements and isotopes in breakups of high-energy heavy ions by combined nuclear and Coulomb fields of interacting nuclei. Written in ANSI FORTRAN 77.

  8. Computer Model Predicts the Movement of Dust

    NASA Technical Reports Server (NTRS)

    2002-01-01

    A new computer model of the atmosphere can now actually pinpoint where global dust events come from, and can project where they're going. The model may help scientists better evaluate the impact of dust on human health, climate, ocean carbon cycles, ecosystems, and atmospheric chemistry. Also, by seeing where dust originates and where it blows people with respiratory problems can get advanced warning of approaching dust clouds. 'The model is physically more realistic than previous ones,' said Mian Chin, a co-author of the study and an Earth and atmospheric scientist at Georgia Tech and the Goddard Space Flight Center (GSFC) in Greenbelt, Md. 'It is able to reproduce the short term day-to-day variations and long term inter-annual variations of dust concentrations and distributions that are measured from field experiments and observed from satellites.' The above images show both aerosols measured from space (left) and the movement of aerosols predicted by computer model for the same date (right). For more information, read New Computer Model Tracks and Predicts Paths Of Earth's Dust Images courtesy Paul Giroux, Georgia Tech/NASA Goddard Space Flight Center

  9. Computational models of natural language processing

    SciTech Connect

    Bara, B.G.; Guida, G.

    1984-01-01

    The main concern in this work is the illustration of models for natural language processing, and the discussion of their role in the development of computational studies of language. Topics covered include the following: competence and performance in the design of natural language systems; planning and understanding speech acts by interpersonal games; a framework for integrating syntax and semantics; knowledge representation and natural language: extending the expressive power of proposition nodes; viewing parsing as word sense discrimination: a connectionist approach; a propositional language for text representation; from topic and focus of a sentence to linking in a text; language generation by computer; understanding the Chinese language; semantic primitives or meaning postulates: mental models of propositional representations; narrative complexity based on summarization algorithms; using focus to constrain language generation; and towards an integral model of language competence.

  10. Queuing theory models for computer networks

    NASA Technical Reports Server (NTRS)

    Galant, David C.

    1989-01-01

    A set of simple queuing theory models which can model the average response of a network of computers to a given traffic load has been implemented using a spreadsheet. The impact of variations in traffic patterns and intensities, channel capacities, and message protocols can be assessed using them because of the lack of fine detail in the network traffic rates, traffic patterns, and the hardware used to implement the networks. A sample use of the models applied to a realistic problem is included in appendix A. Appendix B provides a glossary of terms used in this paper. This Ames Research Center computer communication network is an evolving network of local area networks (LANs) connected via gateways and high-speed backbone communication channels. Intelligent planning of expansion and improvement requires understanding the behavior of the individual LANs as well as the collection of networks as a whole.

  11. Concepts to accelerate water balance model computation

    NASA Astrophysics Data System (ADS)

    Gronz, Oliver; Casper, Markus; Gemmar, Peter

    2010-05-01

    Computation time of water balance models has decreased with the increasing performance of CPUs within the last decades. Often, these advantages have been used to enhance the models, e. g. by enlarging spatial resolution or by using smaller simulation time steps. During the last few years, CPU development tended to focus on strong multi core concepts rather than 'simply being generally faster'. Additionally, computer clusters or even computer clouds have become much more commonly available. All these facts again extend our degrees of freedom in simulating water balance models - if the models are able to efficiently use the computer infrastructure. In the following, we present concepts to optimize especially repeated runs and we generally discuss concepts of parallel computing opportunities. Surveyed model In our examinations, we focused on the water balance model LARSIM. In this model, the catchment is subdivided into elements, each of which representing a certain section of a river and its contributory area. Each element is again subdivided into single compartments of homogeneous land use. During the simulation, the relevant hydrological processes are simulated individually for each compartment. The simulated runoff of all compartments leads into the river channel of the corresponding element. Finally, channel routing is simulated for all elements. Optimizing repeated runs During a typical simulation, several input files have to be read before simulation starts: the model structure, the initial model state and meteorological input files. Furthermore, some calculations have to be solved, like interpolating meteorological values. Thus, e. g. the application of Monte Carlo methods will typically use the following algorithm: 1) choose parameters, 2) set parameters in control files, 3) run model, 4) save result, 5) repeat from step 1. Obviously, the third step always includes the previously mentioned steps of reading and preprocessing. Consequently, the model can be

  12. Computer modeling of heat pipe performance

    NASA Technical Reports Server (NTRS)

    Peterson, G. P.

    1983-01-01

    A parametric study of the defining equations which govern the steady state operational characteristics of the Grumman monogroove dual passage heat pipe is presented. These defining equations are combined to develop a mathematical model which describes and predicts the operational and performance capabilities of a specific heat pipe given the necessary physical characteristics and working fluid. Included is a brief review of the current literature, a discussion of the governing equations, and a description of both the mathematical and computer model. Final results of preliminary test runs of the model are presented and compared with experimental tests on actual prototypes.

  13. Molecular Sieve Bench Testing and Computer Modeling

    NASA Technical Reports Server (NTRS)

    Mohamadinejad, Habib; DaLee, Robert C.; Blackmon, James B.

    1995-01-01

    The design of an efficient four-bed molecular sieve (4BMS) CO2 removal system for the International Space Station depends on many mission parameters, such as duration, crew size, cost of power, volume, fluid interface properties, etc. A need for space vehicle CO2 removal system models capable of accurately performing extrapolated hardware predictions is inevitable due to the change of the parameters which influences the CO2 removal system capacity. The purpose is to investigate the mathematical techniques required for a model capable of accurate extrapolated performance predictions and to obtain test data required to estimate mass transfer coefficients and verify the computer model. Models have been developed to demonstrate that the finite difference technique can be successfully applied to sorbents and conditions used in spacecraft CO2 removal systems. The nonisothermal, axially dispersed, plug flow model with linear driving force for 5X sorbent and pore diffusion for silica gel are then applied to test data. A more complex model, a non-darcian model (two dimensional), has also been developed for simulation of the test data. This model takes into account the channeling effect on column breakthrough. Four FORTRAN computer programs are presented: a two-dimensional model of flow adsorption/desorption in a packed bed; a one-dimensional model of flow adsorption/desorption in a packed bed; a model of thermal vacuum desorption; and a model of a tri-sectional packed bed with two different sorbent materials. The programs are capable of simulating up to four gas constituents for each process, which can be increased with a few minor changes.

  14. A 3-dimensional Analysis of the Cassiopeia A Supernova Remnant

    NASA Astrophysics Data System (ADS)

    Isensee, Karl

    We present a multi-wavelength study of the nearby supernova remnant Cassiopeia A (Cas A). Easily resolvable supernova remnants such as Cas A provide a unique opportunity to test supernova explosion models. Additionally, we can observe key processes in the interstellar medium as the ejecta from the initial explosion encounter Cas A's powerful shocks. In order to accomplish these science goals, we used the Spitzer Space Telescope's Infrared Spectrograph to create a high resolution spectral map of select regions of Cas A, allowing us to make a Doppler reconstruction of its 3-dimensional structure structure. In the center of the remnant, we find relatively pristine ejecta that have not yet reached Cas A's reverse shock or interacted with the circumstellar environment. We observe O, Si, and S emission. These ejecta can form both sheet-like structures as well as filaments. Si and O, which come from different nucleosynthetic layers of the star, are observed to be coincident in some regions, and separated by >500 km s -1 in others. Observed ejecta traveling toward us are, on average, ˜800 km s -1 slower than the material traveling away from us. We compare our observations to recent supernova explosion models and find that no single model can simultaneously reproduce all the observed features. However, models of different supernova explosions can collectively produce the observed geometries and structures of the emission interior to Cas A's reverse shock. We use the results from the models to address the conditions during the supernova explosion, concentrating on asymmetries in the shock structure. We also predict that the back surface of Cassiopeia A will begin brightening in ∼30 years, and the front surface in ˜100 years. We then used similar observations from 3 regions on Cas A's reverse shock in order to create more 3-dimensional maps. In these regions, we observe supernova ejecta both immediately before and during the shock-ejecta interaction. We determine that the

  15. GPU Computing in Space Weather Modeling

    NASA Astrophysics Data System (ADS)

    Feng, X.; Zhong, D.; Xiang, C.; Zhang, Y.

    2013-04-01

    Space weather refers to conditions on the Sun and in the solar wind, magnetosphere, ionosphere, and thermosphere that can influence the performance and reliability of space-borne and ground-based technological systems and that affect human life or health. In order to make the real- or faster than real-time numerical prediction of adverse space weather events and their influence on the geospace environment, high-performance computational models are required. The main objective in this article is to explore the application of programmable graphic processing units (GPUs) to the numerical space weather modeling for the study of solar wind background that is a crucial part in the numerical space weather modeling. GPU programming is realized for our Solar-Interplanetary-CESE MHD model (SIP-CESE MHD model) by numerically studying the solar corona/interplanetary solar wind. The global solar wind structures is obtained by the established GPU model with the magnetic field synoptic data as input. The simulated global structures for Carrington rotation 2060 agrees well with solar observations and solar wind measurements from spacecraft near the Earth. The model's implementation of the adaptive-mesh-refinement (AMR) and message passing interface (MPI) enables the full exploitation of the computing power in a heterogeneous CPU/GPU cluster and significantly improves the overall performance. Our initial tests with available hardware show speedups of roughly 5x compared to traditional software implementation. This work presents a novel application of GPU to the space weather study.

  16. Computational Modeling of Pollution Transmission in Rivers

    NASA Astrophysics Data System (ADS)

    Parsaie, Abbas; Haghiabi, Amir Hamzeh

    2015-08-01

    Modeling of river pollution contributes to better management of water quality and this will lead to the improvement of human health. The advection dispersion equation (ADE) is the government equation on pollutant transmission in the river. Modeling the pollution transmission includes numerical solution of the ADE and estimating the longitudinal dispersion coefficient (LDC). In this paper, a novel approach is proposed for numerical modeling of the pollution transmission in rivers. It is related to use both finite volume method as numerical method and artificial neural network (ANN) as soft computing technique together in simulation. In this approach, the result of the ANN for predicting the LDC was considered as input parameter for the numerical solution of the ADE. To validate the model performance in real engineering problems, the pollutant transmission in Severn River has been simulated. Comparison of the final model results with measured data of the Severn River showed that the model has good performance. Predicting the LDC by ANN model significantly improved the accuracy of computer simulation of the pollution transmission in river.

  17. Validation of Computational Models in Biomechanics

    PubMed Central

    Henninger, Heath B.; Reese, Shawn P.; Anderson, Andrew E.; Weiss, Jeffrey A.

    2010-01-01

    The topics of verification and validation (V&V) have increasingly been discussed in the field of computational biomechanics, and many recent articles have applied these concepts in an attempt to build credibility for models of complex biological systems. V&V are evolving techniques that, if used improperly, can lead to false conclusions about a system under study. In basic science these erroneous conclusions may lead to failure of a subsequent hypothesis, but they can have more profound effects if the model is designed to predict patient outcomes. While several authors have reviewed V&V as they pertain to traditional solid and fluid mechanics, it is the intent of this manuscript to present them in the context of computational biomechanics. Specifically, the task of model validation will be discussed with a focus on current techniques. It is hoped that this review will encourage investigators to engage and adopt the V&V process in an effort to increase peer acceptance of computational biomechanics models. PMID:20839648

  18. Modelling amorphous computations with transcription networks

    PubMed Central

    Simpson, Zack Booth; Tsai, Timothy L.; Nguyen, Nam; Chen, Xi; Ellington, Andrew D.

    2009-01-01

    The power of electronic computation is due in part to the development of modular gate structures that can be coupled to carry out sophisticated logical operations and whose performance can be readily modelled. However, the equivalences between electronic and biochemical operations are far from obvious. In order to help cross between these disciplines, we develop an analogy between complementary metal oxide semiconductor and transcriptional logic gates. We surmise that these transcriptional logic gates might prove to be useful in amorphous computations and model the abilities of immobilized gates to form patterns. Finally, to begin to implement these computations, we design unique hairpin transcriptional gates and then characterize these gates in a binary latch similar to that already demonstrated by Kim et al. (Kim, White & Winfree 2006 Mol. Syst. Biol. 2, 68 (doi:10.1038/msb4100099)). The hairpin transcriptional gates are uniquely suited to the design of a complementary NAND gate that can serve as an underlying basis of molecular computing that can output matter rather than electronic information. PMID:19474083

  19. Computational Modeling of Mammalian Signaling Networks

    PubMed Central

    Hughey, Jacob J; Lee, Timothy K; Covert, Markus W

    2011-01-01

    One of the most exciting developments in signal transduction research has been the proliferation of studies in which a biological discovery was initiated by computational modeling. Here we review the major efforts that enable such studies. First, we describe the experimental technologies that are generally used to identify the molecular components and interactions in, and dynamic behavior exhibited by, a network of interest. Next, we review the mathematical approaches that are used to model signaling network behavior. Finally, we focus on three specific instances of “model-driven discovery”: cases in which computational modeling of a signaling network has led to new insights which have been verified experimentally. Signal transduction networks are the bridge between the extraordinarily complex extracellular environment and a carefully orchestrated cellular response. These networks are largely composed of proteins which can interact, move to specific cellular locations, or be modified or degraded. The integration of these events often leads to the activation or inactivation of transcription factors, which then induce or repress the expression of thousands of genes. Because of this critical role in translating environmental cues to cellular behaviors, malfunctioning signaling networks can lead to a variety of pathologies. One example is cancer, in which many of the key genes found to be involved in cancer onset and development are components of signaling pathways [1, 2]. A detailed understanding of the cellular signaling networks underlying such diseases would likely be extremely useful in developing new treatments. However, the complexity of signaling networks is such that their integrated functions cannot be determined without computational simulation. In recent years, mathematical modeling of signal transduction has led to some exciting new findings and biological discoveries. Here, we review the work that has enabled computational modeling of mammalian

  20. Contribution of seismic processing to put up the scaffolding for the 3-dimensional study of deep sedimentary basins: the fundaments of trans-national 3D modelling in the project GeoMol

    NASA Astrophysics Data System (ADS)

    Capar, Laure

    2013-04-01

    Within the framework of the transnational project GeoMol geophysical and geological information on the entire Molasse Basin and on the Po Basin are gathered to build consistent cross-border 3D geological models based on borehole evidence and seismic data. Benefiting from important progress in seismic processing, these new models will provide some answers to various questions regarding the usage of subsurface resources, as there are geothermal energy, CO2 and gas storage, oil and gas production, and support decisions-making to national and local administrations as well as to industries. More than 28 000 km of 2D seismic lines are compiled reprocessed and harmonized. This work faces various problems like the vertical drop of more than 700 meters between West and East of the Molasse Basin and to al lesser extent in the Po Plain, the heterogeneities of the substratum, the large disparities between the period and parameters of seismic acquisition, and depending of their availability, the use of two types of seismic data, raw and processed seismic data. The main challenge is to harmonize all lines at the same reference level, amplitude and step of signal processing from France to Austria, spanning more than 1000 km, to avoid misfits at crossing points between seismic lines and artifacts at the country borders, facilitating the interpretation of the various geological layers in the Molasse Basin and Po Basin. A generalized stratigraphic column for the two basins is set up, representing all geological layers relevant to subsurface usage. This stratigraphy constitutes the harmonized framework for seismic reprocessing. In general, processed seismic data is available on paper at stack stage and the mandatory information to take these seismic lines to the final stage of processing, the migration step, are datum plane and replacement velocity. However several datum planes and replacement velocities were used during previous processing projects. Our processing sequence is to

  1. Contribution of seismic processing to put up the scaffolding for the 3-dimensional study of deep sedimentary basins: the fundaments of trans-national 3D modelling in the project GeoMol

    NASA Astrophysics Data System (ADS)

    Capar, Laure

    2013-04-01

    Within the framework of the transnational project GeoMol geophysical and geological information on the entire Molasse Basin and on the Po Basin are gathered to build consistent cross-border 3D geological models based on borehole evidence and seismic data. Benefiting from important progress in seismic processing, these new models will provide some answers to various questions regarding the usage of subsurface resources, as there are geothermal energy, CO2 and gas storage, oil and gas production, and support decisions-making to national and local administrations as well as to industries. More than 28 000 km of 2D seismic lines are compiled reprocessed and harmonized. This work faces various problems like the vertical drop of more than 700 meters between West and East of the Molasse Basin and to al lesser extent in the Po Plain, the heterogeneities of the substratum, the large disparities between the period and parameters of seismic acquisition, and depending of their availability, the use of two types of seismic data, raw and processed seismic data. The main challenge is to harmonize all lines at the same reference level, amplitude and step of signal processing from France to Austria, spanning more than 1000 km, to avoid misfits at crossing points between seismic lines and artifacts at the country borders, facilitating the interpretation of the various geological layers in the Molasse Basin and Po Basin. A generalized stratigraphic column for the two basins is set up, representing all geological layers relevant to subsurface usage. This stratigraphy constitutes the harmonized framework for seismic reprocessing. In general, processed seismic data is available on paper at stack stage and the mandatory information to take these seismic lines to the final stage of processing, the migration step, are datum plane and replacement velocity. However several datum planes and replacement velocities were used during previous processing projects. Our processing sequence is to

  2. Molecular Signatures in the Prevention of Radiation Damage by the Synergistic Effect of N-Acetyl Cysteine and Qingre Liyan Decoction, a Traditional Chinese Medicine, Using a 3-Dimensional Cell Culture Model of Oral Mucositis

    PubMed Central

    Lambros, Maria P.; Kondapalli, Lavanya; Parsa, Cyrus; Mulamalla, Hari Chandana; Orlando, Robert; Pon, Doreen; Huang, Ying; Chow, Moses S. S.

    2015-01-01

    Qingre Liyan decoction (QYD), a Traditional Chinese medicine, and N-acetyl cysteine (NAC) have been used to prevent radiation induced mucositis. This work evaluates the protective mechanisms of QYD, NAC, and their combination (NAC-QYD) at the cellular and transcriptional level. A validated organotypic model of oral mucosal consisting of a three-dimensional (3D) cell tissue-culture of primary human keratinocytes exposed to X-ray irradiation was used. Six hours after the irradiation, the tissues were evaluated by hematoxylin and eosin (H and E) and a TUNEL assay to assess histopathology and apoptosis, respectively. Total RNA was extracted and used for microarray gene expression profiling. The tissue-cultures treated with NAC-QYD preserved their integrity and showed no apoptosis. Microarray results revealed that the NAC-QYD caused the upregulation of genes encoding metallothioneins, HMOX1, and other components of the Nrf2 pathway, which protects against oxidative stress. DNA repair genes (XCP, GADD45G, RAD9, and XRCC1), protective genes (EGFR and PPARD), and genes of the NFκB pathway were upregulated. Finally, tissue-cultures treated prophylactically with NAC-QYD showed significant downregulation of apoptosis, cytokines and chemokines genes, and constrained damage-associated molecular patterns (DAMPs). NAC-QYD treatment involves the protective effect of Nrf2, NFκB, and DNA repair factors. PMID:25705238

  3. Multiscale Computational Models of Complex Biological Systems

    PubMed Central

    Walpole, Joseph; Papin, Jason A.; Peirce, Shayn M.

    2014-01-01

    Integration of data across spatial, temporal, and functional scales is a primary focus of biomedical engineering efforts. The advent of powerful computing platforms, coupled with quantitative data from high-throughput experimental platforms, has allowed multiscale modeling to expand as a means to more comprehensively investigate biological phenomena in experimentally relevant ways. This review aims to highlight recently published multiscale models of biological systems while using their successes to propose the best practices for future model development. We demonstrate that coupling continuous and discrete systems best captures biological information across spatial scales by selecting modeling techniques that are suited to the task. Further, we suggest how to best leverage these multiscale models to gain insight into biological systems using quantitative, biomedical engineering methods to analyze data in non-intuitive ways. These topics are discussed with a focus on the future of the field, the current challenges encountered, and opportunities yet to be realized. PMID:23642247

  4. Geometric modeling for computer aided design

    NASA Technical Reports Server (NTRS)

    Schwing, James L.

    1993-01-01

    Over the past several years, it has been the primary goal of this grant to design and implement software to be used in the conceptual design of aerospace vehicles. The work carried out under this grant was performed jointly with members of the Vehicle Analysis Branch (VAB) of NASA LaRC, Computer Sciences Corp., and Vigyan Corp. This has resulted in the development of several packages and design studies. Primary among these are the interactive geometric modeling tool, the Solid Modeling Aerospace Research Tool (smart), and the integration and execution tools provided by the Environment for Application Software Integration and Execution (EASIE). In addition, it is the purpose of the personnel of this grant to provide consultation in the areas of structural design, algorithm development, and software development and implementation, particularly in the areas of computer aided design, geometric surface representation, and parallel algorithms.

  5. Computer modeling of a compact isochronous cyclotron

    NASA Astrophysics Data System (ADS)

    Smirnov, V. L.

    2015-11-01

    The computer modeling methods of a compact isochronous cyclotron are described. The main stages of analysis of accelerator facilities systems are considered. The described methods are based on theoretical fundamentals of cyclotron physics and mention highlights of creation of the physical project of a compact cyclotron. The main attention is paid to the analysis of the beam dynamics, formation of a magnetic field, stability of the movement, and a realistic assessment of intensity of the generated bunch of particles. In the article, the stages of development of the accelerator computer model, analytical ways of assessment of the accelerator parameters, and the basic technique of the numerical analysis of dynamics of the particles are described.

  6. Computational fluid dynamics modelling in cardiovascular medicine

    PubMed Central

    Morris, Paul D; Narracott, Andrew; von Tengg-Kobligk, Hendrik; Silva Soto, Daniel Alejandro; Hsiao, Sarah; Lungu, Angela; Evans, Paul; Bressloff, Neil W; Lawford, Patricia V; Hose, D Rodney; Gunn, Julian P

    2016-01-01

    This paper reviews the methods, benefits and challenges associated with the adoption and translation of computational fluid dynamics (CFD) modelling within cardiovascular medicine. CFD, a specialist area of mathematics and a branch of fluid mechanics, is used routinely in a diverse range of safety-critical engineering systems, which increasingly is being applied to the cardiovascular system. By facilitating rapid, economical, low-risk prototyping, CFD modelling has already revolutionised research and development of devices such as stents, valve prostheses, and ventricular assist devices. Combined with cardiovascular imaging, CFD simulation enables detailed characterisation of complex physiological pressure and flow fields and the computation of metrics which cannot be directly measured, for example, wall shear stress. CFD models are now being translated into clinical tools for physicians to use across the spectrum of coronary, valvular, congenital, myocardial and peripheral vascular diseases. CFD modelling is apposite for minimally-invasive patient assessment. Patient-specific (incorporating data unique to the individual) and multi-scale (combining models of different length- and time-scales) modelling enables individualised risk prediction and virtual treatment planning. This represents a significant departure from traditional dependence upon registry-based, population-averaged data. Model integration is progressively moving towards ‘digital patient’ or ‘virtual physiological human’ representations. When combined with population-scale numerical models, these models have the potential to reduce the cost, time and risk associated with clinical trials. The adoption of CFD modelling signals a new era in cardiovascular medicine. While potentially highly beneficial, a number of academic and commercial groups are addressing the associated methodological, regulatory, education- and service-related challenges. PMID:26512019

  7. Computational fluid dynamics modelling in cardiovascular medicine.

    PubMed

    Morris, Paul D; Narracott, Andrew; von Tengg-Kobligk, Hendrik; Silva Soto, Daniel Alejandro; Hsiao, Sarah; Lungu, Angela; Evans, Paul; Bressloff, Neil W; Lawford, Patricia V; Hose, D Rodney; Gunn, Julian P

    2016-01-01

    This paper reviews the methods, benefits and challenges associated with the adoption and translation of computational fluid dynamics (CFD) modelling within cardiovascular medicine. CFD, a specialist area of mathematics and a branch of fluid mechanics, is used routinely in a diverse range of safety-critical engineering systems, which increasingly is being applied to the cardiovascular system. By facilitating rapid, economical, low-risk prototyping, CFD modelling has already revolutionised research and development of devices such as stents, valve prostheses, and ventricular assist devices. Combined with cardiovascular imaging, CFD simulation enables detailed characterisation of complex physiological pressure and flow fields and the computation of metrics which cannot be directly measured, for example, wall shear stress. CFD models are now being translated into clinical tools for physicians to use across the spectrum of coronary, valvular, congenital, myocardial and peripheral vascular diseases. CFD modelling is apposite for minimally-invasive patient assessment. Patient-specific (incorporating data unique to the individual) and multi-scale (combining models of different length- and time-scales) modelling enables individualised risk prediction and virtual treatment planning. This represents a significant departure from traditional dependence upon registry-based, population-averaged data. Model integration is progressively moving towards 'digital patient' or 'virtual physiological human' representations. When combined with population-scale numerical models, these models have the potential to reduce the cost, time and risk associated with clinical trials. The adoption of CFD modelling signals a new era in cardiovascular medicine. While potentially highly beneficial, a number of academic and commercial groups are addressing the associated methodological, regulatory, education- and service-related challenges. PMID:26512019

  8. Wild Fire Computer Model Helps Firefighters

    SciTech Connect

    Canfield, Jesse

    2012-09-04

    A high-tech computer model called HIGRAD/FIRETEC, the cornerstone of a collaborative effort between U.S. Forest Service Rocky Mountain Research Station and Los Alamos National Laboratory, provides insights that are essential for front-line fire fighters. The science team is looking into levels of bark beetle-induced conditions that lead to drastic changes in fire behavior and how variable or erratic the behavior is likely to be.

  9. Wild Fire Computer Model Helps Firefighters

    ScienceCinema

    Canfield, Jesse

    2014-06-02

    A high-tech computer model called HIGRAD/FIRETEC, the cornerstone of a collaborative effort between U.S. Forest Service Rocky Mountain Research Station and Los Alamos National Laboratory, provides insights that are essential for front-line fire fighters. The science team is looking into levels of bark beetle-induced conditions that lead to drastic changes in fire behavior and how variable or erratic the behavior is likely to be.

  10. Computed structures of polyimides model compounds

    NASA Technical Reports Server (NTRS)

    Tai, H.; Phillips, D. H.

    1990-01-01

    Using a semi-empirical approach, a computer study was made of 8 model compounds of polyimides. The compounds represent subunits from which NASA Langley Research Center has successfully synthesized polymers for aerospace high performance material application, including one of the most promising, LARC-TPI polymer. Three-dimensional graphic display as well as important molecular structure data pertaining to these 8 compounds are obtained.

  11. Computational models of human vision with applications

    NASA Technical Reports Server (NTRS)

    Wandell, B. A.

    1985-01-01

    Perceptual problems in aeronautics were studied. The mechanism by which color constancy is achieved in human vision was examined. A computable algorithm was developed to model the arrangement of retinal cones in spatial vision. The spatial frequency spectra are similar to the spectra of actual cone mosaics. The Hartley transform as a tool of image processing was evaluated and it is suggested that it could be used in signal processing applications, GR image processing.

  12. COMPUTATIONAL MODELING OF CIRCULATING FLUIDIZED BED REACTORS

    SciTech Connect

    Ibrahim, Essam A

    2013-01-09

    Details of numerical simulations of two-phase gas-solid turbulent flow in the riser section of Circulating Fluidized Bed Reactor (CFBR) using Computational Fluid Dynamics (CFD) technique are reported. Two CFBR riser configurations are considered and modeled. Each of these two riser models consist of inlet, exit, connecting elbows and a main pipe. Both riser configurations are cylindrical and have the same diameter but differ in their inlet lengths and main pipe height to enable investigation of riser geometrical scaling effects. In addition, two types of solid particles are exploited in the solid phase of the two-phase gas-solid riser flow simulations to study the influence of solid loading ratio on flow patterns. The gaseous phase in the two-phase flow is represented by standard atmospheric air. The CFD-based FLUENT software is employed to obtain steady state and transient solutions for flow modulations in the riser. The physical dimensions, types and numbers of computation meshes, and solution methodology utilized in the present work are stated. Flow parameters, such as static and dynamic pressure, species velocity, and volume fractions are monitored and analyzed. The differences in the computational results between the two models, under steady and transient conditions, are compared, contrasted, and discussed.

  13. Mathematical and computational models of plasma flows

    NASA Astrophysics Data System (ADS)

    Brushlinsky, K. V.

    Investigations of plasma flows are of interest, firstly, due to numerous applications, and secondly, because of their general principles, which form a special branch of physics: the plasma dynamics. Numerical simulation and computation, together with theoretic and experimental methods, play an important part in these investigations. Speaking on flows, a relatively dense plasma is mentioned, so its mathematical models appertain to the fluid mechanics, i.e., they are based on the magnetohydrodynamic description of plasma. Time dependent two dimensional models of plasma flows of two wide-spread types are considered: the flows across the magnetic field and those in the magnetic field plane.

  14. ADGEN: ADjoint GENerator for computer models

    SciTech Connect

    Worley, B.A.; Pin, F.G.; Horwedel, J.E.; Oblow, E.M.

    1989-05-01

    This paper presents the development of a FORTRAN compiler and an associated supporting software library called ADGEN. ADGEN reads FORTRAN models as input and produces and enhanced version of the input model. The enhanced version reproduces the original model calculations but also has the capability to calculate derivatives of model results of interest with respect to any and all of the model data and input parameters. The method for calculating the derivatives and sensitivities is the adjoint method. Partial derivatives are calculated analytically using computer calculus and saved as elements of an adjoint matrix on direct assess storage. The total derivatives are calculated by solving an appropriate adjoint equation. ADGEN is applied to a major computer model of interest to the Low-Level Waste Community, the PRESTO-II model. PRESTO-II sample problem results reveal that ADGEN correctly calculates derivatives of response of interest with respect to 300 parameters. The execution time to create the adjoint matrix is a factor of 45 times the execution time of the reference sample problem. Once this matrix is determined, the derivatives with respect to 3000 parameters are calculated in a factor of 6.8 that of the reference model for each response of interest. For a single 3000 for determining these derivatives by parameter perturbations. The automation of the implementation of the adjoint technique for calculating derivatives and sensitivities eliminates the costly and manpower-intensive task of direct hand-implementation by reprogramming and thus makes the powerful adjoint technique more amenable for use in sensitivity analysis of existing models. 20 refs., 1 fig., 5 tabs.

  15. Computational fire modeling for aircraft fire research

    SciTech Connect

    Nicolette, V.F.

    1996-11-01

    This report summarizes work performed by Sandia National Laboratories for the Federal Aviation Administration. The technical issues involved in fire modeling for aircraft fire research are identified, as well as computational fire tools for addressing those issues, and the research which is needed to advance those tools in order to address long-range needs. Fire field models are briefly reviewed, and the VULCAN model is selected for further evaluation. Calculations are performed with VULCAN to demonstrate its applicability to aircraft fire problems, and also to gain insight into the complex problem of fires involving aircraft. Simulations are conducted to investigate the influence of fire on an aircraft in a cross-wind. The interaction of the fuselage, wind, fire, and ground plane is investigated. Calculations are also performed utilizing a large eddy simulation (LES) capability to describe the large- scale turbulence instead of the more common k-{epsilon} turbulence model. Additional simulations are performed to investigate the static pressure and velocity distributions around a fuselage in a cross-wind, with and without fire. The results of these simulations provide qualitative insight into the complex interaction of a fuselage, fire, wind, and ground plane. Reasonable quantitative agreement is obtained in the few cases for which data or other modeling results exist Finally, VULCAN is used to quantify the impact of simplifying assumptions inherent in a risk assessment compatible fire model developed for open pool fire environments. The assumptions are seen to be of minor importance for the particular problem analyzed. This work demonstrates the utility of using a fire field model for assessing the limitations of simplified fire models. In conclusion, the application of computational fire modeling tools herein provides both qualitative and quantitative insights into the complex problem of aircraft in fires.

  16. Computational acoustic modeling of cetacean vocalizations

    NASA Astrophysics Data System (ADS)

    Gurevich, Michael Dixon

    A framework for computational acoustic modeling of hypothetical vocal production mechanisms in cetaceans is presented. As a specific example, a model of a proposed source in the larynx of odontocetes is developed. Whales and dolphins generate a broad range of vocal sounds, but the exact mechanisms they use are not conclusively understood. In the fifty years since it has become widely accepted that whales can and do make sound, how they do so has remained particularly confounding. Cetaceans' highly divergent respiratory anatomy, along with the difficulty of internal observation during vocalization have contributed to this uncertainty. A variety of acoustical, morphological, ethological and physiological evidence has led to conflicting and often disputed theories of the locations and mechanisms of cetaceans' sound sources. Computational acoustic modeling has been used to create real-time parametric models of musical instruments and the human voice. These techniques can be applied to cetacean vocalizations to help better understand the nature and function of these sounds. Extensive studies of odontocete laryngeal morphology have revealed vocal folds that are consistently similar to a known but poorly understood acoustic source, the ribbon reed. A parametric computational model of the ribbon reed is developed, based on simplified geometrical, mechanical and fluid models drawn from the human voice literature. The physical parameters of the ribbon reed model are then adapted to those of the odontocete larynx. With reasonable estimates of real physical parameters, both the ribbon reed and odontocete larynx models produce sounds that are perceptually similar to their real-world counterparts, and both respond realistically under varying control conditions. Comparisons of acoustic features of the real-world and synthetic systems show a number of consistencies. While this does not on its own prove that either model is conclusively an accurate description of the source, it

  17. Computational Modeling in Structural Materials Processing

    NASA Technical Reports Server (NTRS)

    Meyyappan, Meyya; Arnold, James O. (Technical Monitor)

    1997-01-01

    High temperature materials such as silicon carbide, a variety of nitrides, and ceramic matrix composites find use in aerospace, automotive, machine tool industries and in high speed civil transport applications. Chemical vapor deposition (CVD) is widely used in processing such structural materials. Variations of CVD include deposition on substrates, coating of fibers, inside cavities and on complex objects, and infiltration within preforms called chemical vapor infiltration (CVI). Our current knowledge of the process mechanisms, ability to optimize processes, and scale-up for large scale manufacturing is limited. In this regard, computational modeling of the processes is valuable since a validated model can be used as a design tool. The effort is similar to traditional chemically reacting flow modeling with emphasis on multicomponent diffusion, thermal diffusion, large sets of homogeneous reactions, and surface chemistry. In the case of CVI, models for pore infiltration are needed. In the present talk, examples of SiC nitride, and Boron deposition from the author's past work will be used to illustrate the utility of computational process modeling.

  18. Multiple copy sampling in protein loop modeling: computational efficiency and sensitivity to dihedral angle perturbations.

    PubMed Central

    Zheng, Q.; Rosenfeld, R.; DeLisi, C.; Kyle, D. J.

    1994-01-01

    Multiple copy sampling and the bond scaling-relaxation technique are combined to generate 3-dimensional conformations of protein loop segments. The computational efficiency and sensitivity to initial loop copy dispersion are analyzed. The multicopy loop modeling method requires approximately 20-50% of the computational time required by the single-copy method for the various protein segments tested. An analytical formula is proposed to estimate the computational gain prior to carrying out a multicopy simulation. When 7-residue loops within flexible proteins are modeled, each multicopy simulation can sample a set of loop conformations with initial dispersions up to +/- 15 degrees for backbone and +/- 30 degrees for side-chain rotatable dihedral angles. The dispersions are larger for shorter and smaller for longer and/or surface loops. The degree of convergence of loop copies during a simulation can be used to complement commonly used target functions (such as potential energy) for distinguishing between native and misfolded conformations. Furthermore, this convergence also reflects the conformational flexibility of the modeled protein segment. Application to simultaneously building all 6 hypervariable loops of an antibody is discussed. PMID:8019420

  19. Ferrofluids: Modeling, numerical analysis, and scientific computation

    NASA Astrophysics Data System (ADS)

    Tomas, Ignacio

    This dissertation presents some developments in the Numerical Analysis of Partial Differential Equations (PDEs) describing the behavior of ferrofluids. The most widely accepted PDE model for ferrofluids is the Micropolar model proposed by R.E. Rosensweig. The Micropolar Navier-Stokes Equations (MNSE) is a subsystem of PDEs within the Rosensweig model. Being a simplified version of the much bigger system of PDEs proposed by Rosensweig, the MNSE are a natural starting point of this thesis. The MNSE couple linear velocity u, angular velocity w, and pressure p. We propose and analyze a first-order semi-implicit fully-discrete scheme for the MNSE, which decouples the computation of the linear and angular velocities, is unconditionally stable and delivers optimal convergence rates under assumptions analogous to those used for the Navier-Stokes equations. Moving onto the much more complex Rosensweig's model, we provide a definition (approximation) for the effective magnetizing field h, and explain the assumptions behind this definition. Unlike previous definitions available in the literature, this new definition is able to accommodate the effect of external magnetic fields. Using this definition we setup the system of PDEs coupling linear velocity u, pressure p, angular velocity w, magnetization m, and magnetic potential ϕ We show that this system is energy-stable and devise a numerical scheme that mimics the same stability property. We prove that solutions of the numerical scheme always exist and, under certain simplifying assumptions, that the discrete solutions converge. A notable outcome of the analysis of the numerical scheme for the Rosensweig's model is the choice of finite element spaces that allow the construction of an energy-stable scheme. Finally, with the lessons learned from Rosensweig's model, we develop a diffuse-interface model describing the behavior of two-phase ferrofluid flows and present an energy-stable numerical scheme for this model. For a

  20. A 3-Dimensional Absorbed Dose Calculation Method Based on Quantitative SPECT for Radionuclide Therapy: Evaluation for 131I Using Monte Carlo Simulation

    PubMed Central

    Ljungberg, Michael; Sjögreen, Katarina; Liu, Xiaowei; Frey, Eric; Dewaraja, Yuni; Strand, Sven-Erik

    2009-01-01

    A general method is presented for patient-specific 3-dimensional absorbed dose calculations based on quantitative SPECT activity measurements. Methods The computational scheme includes a method for registration of the CT image to the SPECT image and position-dependent compensation for attenuation, scatter, and collimator detector response performed as part of an iterative reconstruction method. A method for conversion of the measured activity distribution to a 3-dimensional absorbed dose distribution, based on the EGS4 (electron-gamma shower, version 4) Monte Carlo code, is also included. The accuracy of the activity quantification and the absorbed dose calculation is evaluated on the basis of realistic Monte Carlo–simulated SPECT data, using the SIMIND (simulation of imaging nuclear detectors) program and a voxel-based computer phantom. CT images are obtained from the computer phantom, and realistic patient movements are added relative to the SPECT image. The SPECT-based activity concentration and absorbed dose distributions are compared with the true ones. Results Correction could be made for object scatter, photon attenuation, and scatter penetration in the collimator. However, inaccuracies were imposed by the limited spatial resolution of the SPECT system, for which the collimator response correction did not fully compensate. Conclusion The presented method includes compensation for most parameters degrading the quantitative image information. The compensation methods are based on physical models and therefore are generally applicable to other radionuclides. The proposed evaluation methodology may be used as a basis for future intercomparison of different methods. PMID:12163637

  1. Computational Statistical Methods for Social Network Models

    PubMed Central

    Hunter, David R.; Krivitsky, Pavel N.; Schweinberger, Michael

    2013-01-01

    We review the broad range of recent statistical work in social network models, with emphasis on computational aspects of these methods. Particular focus is applied to exponential-family random graph models (ERGM) and latent variable models for data on complete networks observed at a single time point, though we also briefly review many methods for incompletely observed networks and networks observed at multiple time points. Although we mention far more modeling techniques than we can possibly cover in depth, we provide numerous citations to current literature. We illustrate several of the methods on a small, well-known network dataset, Sampson’s monks, providing code where possible so that these analyses may be duplicated. PMID:23828720

  2. Multimodality 3-Dimensional Image Integration for Congenital Cardiac Catheterization

    PubMed Central

    2014-01-01

    Cardiac catheterization procedures for patients with congenital and structural heart disease are becoming more complex. New imaging strategies involving integration of 3-dimensional images from rotational angiography, magnetic resonance imaging (MRI), computerized tomography (CT), and transesophageal echocardiography (TEE) are employed to facilitate these procedures. We discuss the current use of these new 3D imaging technologies and their advantages and challenges when used to guide complex diagnostic and interventional catheterization procedures in patients with congenital heart disease. PMID:25114757

  3. A Neural Computational Model of Incentive Salience

    PubMed Central

    Zhang, Jun; Berridge, Kent C.; Tindell, Amy J.; Smith, Kyle S.; Aldridge, J. Wayne

    2009-01-01

    Incentive salience is a motivational property with ‘magnet-like’ qualities. When attributed to reward-predicting stimuli (cues), incentive salience triggers a pulse of ‘wanting’ and an individual is pulled toward the cues and reward. A key computational question is how incentive salience is generated during a cue re-encounter, which combines both learning and the state of limbic brain mechanisms. Learning processes, such as temporal-difference models, provide one way for stimuli to acquire cached predictive values of rewards. However, empirical data show that subsequent incentive values are also modulated on the fly by dynamic fluctuation in physiological states, altering cached values in ways requiring additional motivation mechanisms. Dynamic modulation of incentive salience for a Pavlovian conditioned stimulus (CS or cue) occurs during certain states, without necessarily requiring (re)learning about the cue. In some cases, dynamic modulation of cue value occurs during states that are quite novel, never having been experienced before, and even prior to experience of the associated unconditioned reward in the new state. Such cases can include novel drug-induced mesolimbic activation and addictive incentive-sensitization, as well as natural appetite states such as salt appetite. Dynamic enhancement specifically raises the incentive salience of an appropriate CS, without necessarily changing that of other CSs. Here we suggest a new computational model that modulates incentive salience by integrating changing physiological states with prior learning. We support the model with behavioral and neurobiological data from empirical tests that demonstrate dynamic elevations in cue-triggered motivation (involving natural salt appetite, and drug-induced intoxication and sensitization). Our data call for a dynamic model of incentive salience, such as presented here. Computational models can adequately capture fluctuations in cue-triggered ‘wanting’ only by

  4. Successful Parenchyma-Sparing Anatomical Surgery by 3-Dimensional Reconstruction of Hilar Cholangiocarcinoma Combined with Anatomic Variation.

    PubMed

    Ni, Qihong; Wang, Haolu; Liang, Xiaowen; Zhang, Yunhe; Chen, Wei; Wang, Jian

    2016-06-01

    The combination of hilar cholangiocarcinoma and anatomic variation constitutes a rare and complicated condition. Precise understanding of 3-dimensional position of tumor in the intrahepatic structure in such cases is important for operation planning and navigation. We report a case of a 61-year woman presenting with hilar cholangiocarcinoma. Anatomic variation and tumor location were well depicted on preoperative multidetector computed tomography (MDCT) combined with 3-dimensional reconstruction as the right posterior segmental duct drained to left hepatic duct. The common hepatic duct, biliary confluence, right anterior segmental duct, and right anterior branch of portal vein were involved by the tumor (Bismuth IIIa). After carefully operation planning, we successfully performed a radical parenchyma-sparing anatomical surgery of hilar cholangiocarcinoma: Liver segmentectomy (segments 5 and 8) and caudate lobectomy. MDCTcombined with 3-dimensional reconstruction is a reliable non-invasive modality for preoperative evaluation of hilar cholangiocarcinoma. PMID:27376205

  5. Computational Model of Fluorine-20 Experiment

    NASA Astrophysics Data System (ADS)

    Chuna, Thomas; Voytas, Paul; George, Elizabeth; Naviliat-Cuncic, Oscar; Gade, Alexandra; Hughes, Max; Huyan, Xueying; Liddick, Sean; Minamisono, Kei; Weisshaar, Dirk; Paulauskas, Stanley; Ban, Gilles; Flechard, Xavier; Lienard, Etienne

    2015-10-01

    The Conserved Vector Current (CVC) hypothesis of the standard model of the electroweak interaction predicts there is a contribution to the shape of the spectrum in the beta-minus decay of 20F related to a property of the analogous gamma decay of excited 20Ne. To provide a strong test of the CVC hypothesis, a precise measurement of the 20F beta decay spectrum will be taken at the National Superconducting Cyclotron Laboratory. This measurement uses unconventional measurement techniques in that 20F will be implanted directly into a scintillator. As the emitted electrons interact with the detector material, bremsstrahlung interactions occur and the escape of the resultant photons will distort the measured spectrum. Thus, a Monte Carlo simulation has been constructed using EGSnrc radiation transport software. This computational model's intended use is to quantify and correct for distortion in the observed beta spectrum due, primarily, to the aforementioned bremsstrahlung. The focus of this presentation is twofold: the analysis of the computational model itself and the results produced by the model. Wittenberg University.

  6. 3-Dimensional modeling of protein structures distinguishes closely related phytoplasmas

    Technology Transfer Automated Retrieval System (TEKTRAN)

    Phytoplasmas (formerly mycoplasmalike organisms, MLOs) are cell wall-less bacteria that inhabit phloem tissue of plants and are transmitted from plant-to-plant by phloem-feeding insects. Numerous diseases affecting hundreds of plant species in many botanical families are attributed to infections by...

  7. Conditioned Media From Adipose-Derived Stromal Cells Accelerates Healing in 3-Dimensional Skin Cultures.

    PubMed

    Collawn, Sherry S; Mobley, James A; Banerjee, N Sanjib; Chow, Louise T

    2016-04-01

    Wound healing involves a number of factors that results in the production of a "closed" wound. Studies have shown, in animal models, acceleration of wound healing with the addition of adipose-derived stromal cells (ADSC). The cause for the positive effect which these cells have on wound healing has not been elucidated. We have previously shown that addition of ADSC to the dermal equivalent in 3-dimensional skin cultures accelerates reepithelialization. We now demonstrate that conditioned media (CM) from cultured ADSC produced a similar rate of healing. This result suggests that a feedback from the 3-dimensional epithelial cultures to ADSC was not necessary to effect the accelerated reepithelialization. Mass spectrometry of CM from ADSC and primary human fibroblasts revealed differences in secretomes, some of which might have roles in the accelerating wound healing. Thus, the use of CM has provided some preliminary information on a possible mode of action. PMID:26954733

  8. Computational fluid dynamic modelling of cavitation

    NASA Technical Reports Server (NTRS)

    Deshpande, Manish; Feng, Jinzhang; Merkle, Charles L.

    1993-01-01

    Models in sheet cavitation in cryogenic fluids are developed for use in Euler and Navier-Stokes codes. The models are based upon earlier potential-flow models but enable the cavity inception point, length, and shape to be determined as part of the computation. In the present paper, numerical solutions are compared with experimental measurements for both pressure distribution and cavity length. Comparisons between models are also presented. The CFD model provides a relatively simple modification to an existing code to enable cavitation performance predictions to be included. The analysis also has the added ability of incorporating thermodynamic effects of cryogenic fluids into the analysis. Extensions of the current two-dimensional steady state analysis to three-dimensions and/or time-dependent flows are, in principle, straightforward although geometrical issues become more complicated. Linearized models, however offer promise of providing effective cavitation modeling in three-dimensions. This analysis presents good potential for improved understanding of many phenomena associated with cavity flows.

  9. Modeling Reality - How Computers Mirror Life

    NASA Astrophysics Data System (ADS)

    Bialynicki-Birula, Iwo; Bialynicka-Birula, Iwona

    2005-01-01

    The bookModeling Reality covers a wide range of fascinating subjects, accessible to anyone who wants to learn about the use of computer modeling to solve a diverse range of problems, but who does not possess a specialized training in mathematics or computer science. The material presented is pitched at the level of high-school graduates, even though it covers some advanced topics (cellular automata, Shannon's measure of information, deterministic chaos, fractals, game theory, neural networks, genetic algorithms, and Turing machines). These advanced topics are explained in terms of well known simple concepts: Cellular automata - Game of Life, Shannon's formula - Game of twenty questions, Game theory - Television quiz, etc. The book is unique in explaining in a straightforward, yet complete, fashion many important ideas, related to various models of reality and their applications. Twenty-five programs, written especially for this book, are provided on an accompanying CD. They greatly enhance its pedagogical value and make learning of even the more complex topics an enjoyable pleasure.

  10. Computer Model Used to Help Customize Medicine

    NASA Technical Reports Server (NTRS)

    Stauber, Laurel J.; Veris, Jenise

    2001-01-01

    Dr. Radhakrishnan, a researcher at the NASA Glenn Research Center, in collaboration with biomedical researchers at the Case Western Reserve University School of Medicine and Rainbow Babies and Children's Hospital, is developing computational models of human physiology that quantitate metabolism and its regulation, in both healthy and pathological states. These models can help predict the effects of stresses or interventions, such as drug therapies, and contribute to the development of customized medicine. Customized medical treatment protocols can give more comprehensive evaluations and lead to more specific and effective treatments for patients, reducing treatment time and cost. Commercial applications of this research may help the pharmaceutical industry identify therapeutic needs and predict drug-drug interactions. Researchers will be able to study human metabolic reactions to particular treatments while in different environments as well as establish more definite blood metabolite concentration ranges in normal and pathological states. These computational models may help NASA provide the background for developing strategies to monitor and safeguard the health of astronauts and civilians in space stations and colonies. They may also help to develop countermeasures that ameliorate the effects of both acute and chronic space exposure.

  11. Databases for Computational Thermodynamics and Diffusion Modeling

    NASA Astrophysics Data System (ADS)

    Kattner, U. R.; Boettinger, W. J.; Morral, J. E.

    2002-11-01

    Databases for computational thermodynamics and diffusion modeling can be applied to predict phase diagrams for alloy design and alloy behavior during processing and service. Databases that are currently available to scientists, engineers and students need to be expanded and improved. The approach of the workshop was to first identify the database and information delivery tool needs of industry and education. The workshop format was a series of invited talks given to the group as a whole followed by general discussions of needs and benefits to provide a roadmap of future activities.

  12. Some queuing network models of computer systems

    NASA Technical Reports Server (NTRS)

    Herndon, E. S.

    1980-01-01

    Queuing network models of a computer system operating with a single workload type are presented. Program algorithms are adapted for use on the Texas Instruments SR-52 programmable calculator. By slightly altering the algorithm to process the G and H matrices row by row instead of column by column, six devices and an unlimited job/terminal population could be handled on the SR-52. Techniques are also introduced for handling a simple load dependent server and for studying interactive systems with fixed multiprogramming limits.

  13. A Computational Model of Multidimensional Shape

    PubMed Central

    Liu, Xiuwen; Shi, Yonggang; Dinov, Ivo

    2010-01-01

    We develop a computational model of shape that extends existing Riemannian models of curves to multidimensional objects of general topological type. We construct shape spaces equipped with geodesic metrics that measure how costly it is to interpolate two shapes through elastic deformations. The model employs a representation of shape based on the discrete exterior derivative of parametrizations over a finite simplicial complex. We develop algorithms to calculate geodesics and geodesic distances, as well as tools to quantify local shape similarities and contrasts, thus obtaining a formulation that accounts for regional differences and integrates them into a global measure of dissimilarity. The Riemannian shape spaces provide a common framework to treat numerous problems such as the statistical modeling of shapes, the comparison of shapes associated with different individuals or groups, and modeling and simulation of shape dynamics. We give multiple examples of geodesic interpolations and illustrations of the use of the models in brain mapping, particularly, the analysis of anatomical variation based on neuroimaging data. PMID:21057668

  14. Computational social dynamic modeling of group recruitment.

    SciTech Connect

    Berry, Nina M.; Lee, Marinna; Pickett, Marc; Turnley, Jessica Glicken; Smrcka, Julianne D.; Ko, Teresa H.; Moy, Timothy David; Wu, Benjamin C.

    2004-01-01

    The Seldon software toolkit combines concepts from agent-based modeling and social science to create a computationally social dynamic model for group recruitment. The underlying recruitment model is based on a unique three-level hybrid agent-based architecture that contains simple agents (level one), abstract agents (level two), and cognitive agents (level three). This uniqueness of this architecture begins with abstract agents that permit the model to include social concepts (gang) or institutional concepts (school) into a typical software simulation environment. The future addition of cognitive agents to the recruitment model will provide a unique entity that does not exist in any agent-based modeling toolkits to date. We use social networks to provide an integrated mesh within and between the different levels. This Java based toolkit is used to analyze different social concepts based on initialization input from the user. The input alters a set of parameters used to influence the values associated with the simple agents, abstract agents, and the interactions (simple agent-simple agent or simple agent-abstract agent) between these entities. The results of phase-1 Seldon toolkit provide insight into how certain social concepts apply to different scenario development for inner city gang recruitment.

  15. Modelling the penumbra in Computed Tomography1

    PubMed Central

    Kueh, Audrey; Warnett, Jason M.; Gibbons, Gregory J.; Brettschneider, Julia; Nichols, Thomas E.; Williams, Mark A.; Kendall, Wilfrid S.

    2016-01-01

    BACKGROUND: In computed tomography (CT), the spot geometry is one of the main sources of error in CT images. Since X-rays do not arise from a point source, artefacts are produced. In particular there is a penumbra effect, leading to poorly defined edges within a reconstructed volume. Penumbra models can be simulated given a fixed spot geometry and the known experimental setup. OBJECTIVE: This paper proposes to use a penumbra model, derived from Beer’s law, both to confirm spot geometry from penumbra data, and to quantify blurring in the image. METHODS: Two models for the spot geometry are considered; one consists of a single Gaussian spot, the other is a mixture model consisting of a Gaussian spot together with a larger uniform spot. RESULTS: The model consisting of a single Gaussian spot has a poor fit at the boundary. The mixture model (which adds a larger uniform spot) exhibits a much improved fit. The parameters corresponding to the uniform spot are similar across all powers, and further experiments suggest that the uniform spot produces only soft X-rays of relatively low-energy. CONCLUSIONS: Thus, the precision of radiographs can be estimated from the penumbra effect in the image. The use of a thin copper filter reduces the size of the effective penumbra. PMID:27232198

  16. Morphological analysis and preoperative simulation of a double-chambered right ventricle using 3-dimensional printing technology.

    PubMed

    Shirakawa, Takashi; Koyama, Yasushi; Mizoguchi, Hiroki; Yoshitatsu, Masao

    2016-05-01

    We present a case of a double-chambered right ventricle in adulthood, in which we tried a detailed morphological assessment and preoperative simulation using 3-dimensional (3D) heart models for improved surgical planning. Polygonal object data for the heart were constructed from computed tomography images of this patient, and transferred to a desktop 3D printer to print out models in actual size. Medical staff completed all of the work processes. Because the 3D heart models were examined by hand, observed from various viewpoints and measured by callipers with ease, we were able to create an image of the complete form of the heart. The anatomical structure of an anomalous bundle was clearly observed, and surgical approaches to the lesion were simulated accurately. During surgery, we used an incision on the pulmonary infundibulum and resected three muscular components of the stenosis. The similarity between the models and the actual heart was excellent. As a result, the operation for this rare defect was performed safely and successfully. We concluded that the custom-made model was useful for morphological analysis and preoperative simulation. PMID:26860990

  17. Computational modeling approaches in gonadotropin signaling.

    PubMed

    Ayoub, Mohammed Akli; Yvinec, Romain; Crépieux, Pascale; Poupon, Anne

    2016-07-01

    Follicle-stimulating hormone and LH play essential roles in animal reproduction. They exert their function through binding to their cognate receptors, which belong to the large family of G protein-coupled receptors. This recognition at the plasma membrane triggers a plethora of cellular events, whose processing and integration ultimately lead to an adapted biological response. Understanding the nature and the kinetics of these events is essential for innovative approaches in drug discovery. The study and manipulation of such complex systems requires the use of computational modeling approaches combined with robust in vitro functional assays for calibration and validation. Modeling brings a detailed understanding of the system and can also be used to understand why existing drugs do not work as well as expected, and how to design more efficient ones. PMID:27165991

  18. Computational models of intergroup competition and warfare.

    SciTech Connect

    Letendre, Kenneth; Abbott, Robert G.

    2011-11-01

    This document reports on the research of Kenneth Letendre, the recipient of a Sandia Graduate Research Fellowship at the University of New Mexico. Warfare is an extreme form of intergroup competition in which individuals make extreme sacrifices for the benefit of their nation or other group to which they belong. Among animals, limited, non-lethal competition is the norm. It is not fully understood what factors lead to warfare. We studied the global variation in the frequency of civil conflict among countries of the world, and its positive association with variation in the intensity of infectious disease. We demonstrated that the burden of human infectious disease importantly predicts the frequency of civil conflict and tested a causal model for this association based on the parasite-stress theory of sociality. We also investigated the organization of social foraging by colonies of harvester ants in the genus Pogonomyrmex, using both field studies and computer models.

  19. A COMPUTATIONAL MODEL OF MOTOR NEURON DEGENERATION

    PubMed Central

    Le Masson, Gwendal; Przedborski, Serge; Abbott, L.F.

    2014-01-01

    SUMMARY To explore the link between bioenergetics and motor neuron degeneration, we used a computational model in which detailed morphology and ion conductance are paired with intracellular ATP production and consumption. We found that reduced ATP availability increases the metabolic cost of a single action potential and disrupts K+/Na+ homeostasis, resulting in a chronic depolarization. The magnitude of the ATP shortage at which this ionic instability occurs depends on the morphology and intrinsic conductance characteristic of the neuron. If ATP shortage is confined to the distal part of the axon, the ensuing local ionic instability eventually spreads to the whole neuron and involves fasciculation-like spiking events. A shortage of ATP also causes a rise in intracellular calcium. Our modeling work supports the notion that mitochondrial dysfunction can account for salient features of the paralytic disorder amyotrophic lateral sclerosis, including motor neuron hyperexcitability, fasciculation, and differential vulnerability of motor neuron subpopulations. PMID:25088365

  20. Computer modeling of thermoelectric generator performance

    NASA Technical Reports Server (NTRS)

    Chmielewski, A. B.; Shields, V.

    1982-01-01

    Features of the DEGRA 2 computer code for simulating the operations of a spacecraft thermoelectric generator are described. The code models the physical processes occurring during operation. Input variables include the thermoelectric couple geometry and composition, the thermoelectric materials' properties, interfaces and insulation in the thermopile, the heat source characteristics, mission trajectory, and generator electrical requirements. Time steps can be specified and sublimation of the leg and hot shoe is accounted for, as are shorts between legs. Calculations are performed for conduction, Peltier, Thomson, and Joule heating, the cold junction can be adjusted for solar radition, and the legs of the thermoelectric couple are segmented to enhance the approximation accuracy. A trial run covering 18 couple modules yielded data with 0.3% accuracy with regard to test data. The model has been successful with selenide materials, SiGe, and SiN4, with output of all critical operational variables.

  1. Direct modeling for computational fluid dynamics

    NASA Astrophysics Data System (ADS)

    Xu, Kun

    2015-06-01

    All fluid dynamic equations are valid under their modeling scales, such as the particle mean free path and mean collision time scale of the Boltzmann equation and the hydrodynamic scale of the Navier-Stokes (NS) equations. The current computational fluid dynamics (CFD) focuses on the numerical solution of partial differential equations (PDEs), and its aim is to get the accurate solution of these governing equations. Under such a CFD practice, it is hard to develop a unified scheme that covers flow physics from kinetic to hydrodynamic scales continuously because there is no such governing equation which could make a smooth transition from the Boltzmann to the NS modeling. The study of fluid dynamics needs to go beyond the traditional numerical partial differential equations. The emerging engineering applications, such as air-vehicle design for near-space flight and flow and heat transfer in micro-devices, do require further expansion of the concept of gas dynamics to a larger domain of physical reality, rather than the traditional distinguishable governing equations. At the current stage, the non-equilibrium flow physics has not yet been well explored or clearly understood due to the lack of appropriate tools. Unfortunately, under the current numerical PDE approach, it is hard to develop such a meaningful tool due to the absence of valid PDEs. In order to construct multiscale and multiphysics simulation methods similar to the modeling process of constructing the Boltzmann or the NS governing equations, the development of a numerical algorithm should be based on the first principle of physical modeling. In this paper, instead of following the traditional numerical PDE path, we introduce direct modeling as a principle for CFD algorithm development. Since all computations are conducted in a discretized space with limited cell resolution, the flow physics to be modeled has to be done in the mesh size and time step scales. Here, the CFD is more or less a direct

  2. Electrode Models for Electric Current Computed Tomography

    PubMed Central

    CHENG, KUO-SHENG; ISAACSON, DAVID; NEWELL, J. C.; GISSER, DAVID G.

    2016-01-01

    This paper develops a mathematical model for the physical properties of electrodes suitable for use in electric current computed tomography (ECCT). The model includes the effects of discretization, shunt, and contact impedance. The complete model was validated by experiment. Bath resistivities of 284.0, 139.7, 62.3, 29.5 Ω · cm were studied. Values of “effective” contact impedance z used in the numerical approximations were 58.0, 35.0, 15.0, and 7.5 Ω · cm2, respectively. Agreement between the calculated and experimentally measured values was excellent throughout the range of bath conductivities studied. It is desirable in electrical impedance imaging systems to model the observed voltages to the same precision as they are measured in order to be able to make the highest resolution reconstructions of the internal conductivity that the measurement precision allows. The complete electrode model, which includes the effects of discretization of the current pattern, the shunt effect due to the highly conductive electrode material, and the effect of an “effective” contact impedance, allows calculation of the voltages due to any current pattern applied to a homogeneous resistivity field. PMID:2777280

  3. Computer Modeling of Non-Isothermal Crystallization

    NASA Technical Reports Server (NTRS)

    Kelton, K. F.; Narayan, K. Lakshmi; Levine, L. E.; Cull, T. C.; Ray, C. S.

    1996-01-01

    A realistic computer model for simulating isothermal and non-isothermal phase transformations proceeding by homogeneous and heterogeneous nucleation and interface-limited growth is presented. A new treatment for particle size effects on the crystallization kinetics is developed and is incorporated into the numerical model. Time-dependent nucleation rates, size-dependent growth rates, and surface crystallization are also included. Model predictions are compared with experimental measurements of DSC/DTA peak parameters for the crystallization of lithium disilicate glass as a function of particle size, Pt doping levels, and water content. The quantitative agreement that is demonstrated indicates that the numerical model can be used to extract key kinetic data from easily obtained calorimetric data. The model can also be used to probe nucleation and growth behavior in regimes that are otherwise inaccessible. Based on a fit to data, an earlier prediction that the time-dependent nucleation rate in a DSC/DTA scan can rise above the steady-state value at a temperature higher than the peak in the steady-state rate is demonstrated.

  4. Multiscale computational modelling of the heart

    NASA Astrophysics Data System (ADS)

    Smith, N. P.; Nickerson, D. P.; Crampin, E. J.; Hunter, P. J.

    A computational framework is presented for integrating the electrical, mechanical and biochemical functions of the heart. Finite element techniques are used to solve the large-deformation soft tissue mechanics using orthotropic constitutive laws based in the measured fibre-sheet structure of myocardial (heart muscle) tissue. The reaction-diffusion equations governing electrical current flow in the heart are solved on a grid of deforming material points which access systems of ODEs representing the cellular processes underlying the cardiac action potential. Navier-Stokes equations are solved for coronary blood flow in a system of branching blood vessels embedded in the deforming myocardium and the delivery of oxygen and metabolites is coupled to the energy-dependent cellular processes. The framework presented here for modelling coupled physical conservation laws at the tissue and organ levels is also appropriate for other organ systems in the body and we briefly discuss applications to the lungs and the musculo-skeletal system. The computational framework is also designed to reach down to subcellular processes, including signal transduction cascades and metabolic pathways as well as ion channel electrophysiology, and we discuss the development of ontologies and markup language standards that will help link the tissue and organ level models to the vast array of gene and protein data that are now available in web-accessible databases.

  5. Efficient gradient computation for dynamical models

    PubMed Central

    Sengupta, B.; Friston, K.J.; Penny, W.D.

    2014-01-01

    Data assimilation is a fundamental issue that arises across many scales in neuroscience — ranging from the study of single neurons using single electrode recordings to the interaction of thousands of neurons using fMRI. Data assimilation involves inverting a generative model that can not only explain observed data but also generate predictions. Typically, the model is inverted or fitted using conventional tools of (convex) optimization that invariably extremise some functional — norms, minimum descriptive length, variational free energy, etc. Generally, optimisation rests on evaluating the local gradients of the functional to be optimized. In this paper, we compare three different gradient estimation techniques that could be used for extremising any functional in time — (i) finite differences, (ii) forward sensitivities and a method based on (iii) the adjoint of the dynamical system. We demonstrate that the first-order gradients of a dynamical system, linear or non-linear, can be computed most efficiently using the adjoint method. This is particularly true for systems where the number of parameters is greater than the number of states. For such systems, integrating several sensitivity equations – as required with forward sensitivities – proves to be most expensive, while finite-difference approximations have an intermediate efficiency. In the context of neuroimaging, adjoint based inversion of dynamical causal models (DCMs) can, in principle, enable the study of models with large numbers of nodes and parameters. PMID:24769182

  6. Computational modeling of intraocular gas dynamics.

    PubMed

    Noohi, P; Abdekhodaie, M J; Cheng, Y L

    2015-01-01

    The purpose of this study was to develop a computational model to simulate the dynamics of intraocular gas behavior in pneumatic retinopexy (PR) procedure. The presented model predicted intraocular gas volume at any time and determined the tolerance angle within which a patient can maneuver and still gas completely covers the tear(s). Computational fluid dynamics calculations were conducted to describe PR procedure. The geometrical model was constructed based on the rabbit and human eye dimensions. SF6 in the form of pure and diluted with air was considered as the injected gas. The presented results indicated that the composition of the injected gas affected the gas absorption rate and gas volume. After injection of pure SF6, the bubble expanded to 2.3 times of its initial volume during the first 23 h, but when diluted SF6 was used, no significant expansion was observed. Also, head positioning for the treatment of retinal tear influenced the rate of gas absorption. Moreover, the determined tolerance angle depended on the bubble and tear size. More bubble expansion and smaller retinal tear caused greater tolerance angle. For example, after 23 h, for the tear size of 2 mm the tolerance angle of using pure SF6 is 1.4 times more than that of using diluted SF6 with 80% air. Composition of the injected gas and conditions of the tear in PR may dramatically affect the gas absorption rate and gas volume. Quantifying these effects helps to predict the tolerance angle and improve treatment efficiency. PMID:26682529

  7. Computational modeling of intraocular gas dynamics

    NASA Astrophysics Data System (ADS)

    Noohi, P.; Abdekhodaie, M. J.; Cheng, Y. L.

    2015-12-01

    The purpose of this study was to develop a computational model to simulate the dynamics of intraocular gas behavior in pneumatic retinopexy (PR) procedure. The presented model predicted intraocular gas volume at any time and determined the tolerance angle within which a patient can maneuver and still gas completely covers the tear(s). Computational fluid dynamics calculations were conducted to describe PR procedure. The geometrical model was constructed based on the rabbit and human eye dimensions. SF6 in the form of pure and diluted with air was considered as the injected gas. The presented results indicated that the composition of the injected gas affected the gas absorption rate and gas volume. After injection of pure SF6, the bubble expanded to 2.3 times of its initial volume during the first 23 h, but when diluted SF6 was used, no significant expansion was observed. Also, head positioning for the treatment of retinal tear influenced the rate of gas absorption. Moreover, the determined tolerance angle depended on the bubble and tear size. More bubble expansion and smaller retinal tear caused greater tolerance angle. For example, after 23 h, for the tear size of 2 mm the tolerance angle of using pure SF6 is 1.4 times more than that of using diluted SF6 with 80% air. Composition of the injected gas and conditions of the tear in PR may dramatically affect the gas absorption rate and gas volume. Quantifying these effects helps to predict the tolerance angle and improve treatment efficiency.

  8. Preliminary Phase Field Computational Model Development

    SciTech Connect

    Li, Yulan; Hu, Shenyang Y.; Xu, Ke; Suter, Jonathan D.; McCloy, John S.; Johnson, Bradley R.; Ramuhalli, Pradeep

    2014-12-15

    This interim report presents progress towards the development of meso-scale models of magnetic behavior that incorporate microstructural information. Modeling magnetic signatures in irradiated materials with complex microstructures (such as structural steels) is a significant challenge. The complexity is addressed incrementally, using the monocrystalline Fe (i.e., ferrite) film as model systems to develop and validate initial models, followed by polycrystalline Fe films, and by more complicated and representative alloys. In addition, the modeling incrementally addresses inclusion of other major phases (e.g., martensite, austenite), minor magnetic phases (e.g., carbides, FeCr precipitates), and minor nonmagnetic phases (e.g., Cu precipitates, voids). The focus of the magnetic modeling is on phase-field models. The models are based on the numerical solution to the Landau-Lifshitz-Gilbert equation. From the computational standpoint, phase-field modeling allows the simulation of large enough systems that relevant defect structures and their effects on functional properties like magnetism can be simulated. To date, two phase-field models have been generated in support of this work. First, a bulk iron model with periodic boundary conditions was generated as a proof-of-concept to investigate major loop effects of single versus polycrystalline bulk iron and effects of single non-magnetic defects. More recently, to support the experimental program herein using iron thin films, a new model was generated that uses finite boundary conditions representing surfaces and edges. This model has provided key insights into the domain structures observed in magnetic force microscopy (MFM) measurements. Simulation results for single crystal thin-film iron indicate the feasibility of the model for determining magnetic domain wall thickness and mobility in an externally applied field. Because the phase-field model dimensions are limited relative to the size of most specimens used in

  9. Incorporating a 3-dimensional printer into the management of early-stage cervical cancer.

    PubMed

    Baek, Min-Hyun; Kim, Dae-Yeon; Kim, Namkug; Rhim, Chae Chun; Kim, Jong-Hyeok; Nam, Joo-Hyun

    2016-08-01

    We used a 3-dimensional (3D) printer to create anatomical replicas of real lesions and tested its application in cervical cancer. Our study patient decided to undergo radical hysterectomy after seeing her 3D model which was then used to plan and simulate this surgery. Using 3D printers to create patient-specific 3D tumor models may aid cervical cancer patients make treatment decisions. This technology will lead to better surgical and oncological outcomes for cervical cancer patients. J. Surg. Oncol. 2016;114:150-152. © 2016 Wiley Periodicals, Inc. PMID:27222318

  10. Methodical Approaches to Teaching of Computer Modeling in Computer Science Course

    ERIC Educational Resources Information Center

    Rakhimzhanova, B. Lyazzat; Issabayeva, N. Darazha; Khakimova, Tiyshtik; Bolyskhanova, J. Madina

    2015-01-01

    The purpose of this study was to justify of the formation technique of representation of modeling methodology at computer science lessons. The necessity of studying computer modeling is that the current trends of strengthening of general education and worldview functions of computer science define the necessity of additional research of the…

  11. Accurate modeling of parallel scientific computations

    NASA Technical Reports Server (NTRS)

    Nicol, David M.; Townsend, James C.

    1988-01-01

    Scientific codes are usually parallelized by partitioning a grid among processors. To achieve top performance it is necessary to partition the grid so as to balance workload and minimize communication/synchronization costs. This problem is particularly acute when the grid is irregular, changes over the course of the computation, and is not known until load time. Critical mapping and remapping decisions rest on the ability to accurately predict performance, given a description of a grid and its partition. This paper discusses one approach to this problem, and illustrates its use on a one-dimensional fluids code. The models constructed are shown to be accurate, and are used to find optimal remapping schedules.

  12. A computational model for dynamic vision

    NASA Technical Reports Server (NTRS)

    Moezzi, Saied; Weymouth, Terry E.

    1990-01-01

    This paper describes a novel computational model for dynamic vision which promises to be both powerful and robust. Furthermore the paradigm is ideal for an active vision system where camera vergence changes dynamically. Its basis is the retinotopically indexed object-centered encoding of the early visual information. Specifically, the relative distances of objects to a set of referents is encoded in image registered maps. To illustrate the efficacy of the method, it is applied to the problem of dynamic stereo vision. Integration of depth information over multiple frames obtained by a moving robot generally requires precise information about the relative camera position from frame to frame. Usually, this information can only be approximated. The method facilitates the integration of depth information without direct use or knowledge of camera motion.

  13. Comprehensive silicon solar cell computer modeling

    NASA Technical Reports Server (NTRS)

    Lamorte, M. F.

    1984-01-01

    The development of an efficient, comprehensive Si solar cell modeling program that has the capability of simulation accuracy of 5 percent or less is examined. A general investigation of computerized simulation is provided. Computer simulation programs are subdivided into a number of major tasks: (1) analytical method used to represent the physical system; (2) phenomena submodels that comprise the simulation of the system; (3) coding of the analysis and the phenomena submodels; (4) coding scheme that results in efficient use of the CPU so that CPU costs are low; and (5) modularized simulation program with respect to structures that may be analyzed, addition and/or modification of phenomena submodels as new experimental data become available, and the addition of other photovoltaic materials.

  14. Modeling groundwater flow on massively parallel computers

    SciTech Connect

    Ashby, S.F.; Falgout, R.D.; Fogwell, T.W.; Tompson, A.F.B.

    1994-12-31

    The authors will explore the numerical simulation of groundwater flow in three-dimensional heterogeneous porous media. An interdisciplinary team of mathematicians, computer scientists, hydrologists, and environmental engineers is developing a sophisticated simulation code for use on workstation clusters and MPPs. To date, they have concentrated on modeling flow in the saturated zone (single phase), which requires the solution of a large linear system. they will discuss their implementation of preconditioned conjugate gradient solvers. The preconditioners under consideration include simple diagonal scaling, s-step Jacobi, adaptive Chebyshev polynomial preconditioning, and multigrid. They will present some preliminary numerical results, including simulations of groundwater flow at the LLNL site. They also will demonstrate the code`s scalability.

  15. Geometric modeling for computer aided design

    NASA Technical Reports Server (NTRS)

    Schwing, James L.

    1992-01-01

    The goal was the design and implementation of software to be used in the conceptual design of aerospace vehicles. Several packages and design studies were completed, including two software tools currently used in the conceptual level design of aerospace vehicles. These tools are the Solid Modeling Aerospace Research Tool (SMART) and the Environment for Software Integration and Execution (EASIE). SMART provides conceptual designers with a rapid prototyping capability and additionally provides initial mass property analysis. EASIE provides a set of interactive utilities that simplify the task of building and executing computer aided design systems consisting of diverse, stand alone analysis codes that result in the streamlining of the exchange of data between programs, reducing errors and improving efficiency.

  16. Computational model of heterogeneous heating in melanin

    NASA Astrophysics Data System (ADS)

    Kellicker, Jason; DiMarzio, Charles A.; Kowalski, Gregory J.

    2015-03-01

    Melanin particles often present as an aggregate of smaller melanin pigment granules and have a heterogeneous surface morphology. When irradiated with light within the absorption spectrum of melanin, these heterogeneities produce measurable concentrations of the electric field that result in temperature gradients from thermal effects that are not seen with spherical or ellipsoidal modeling of melanin. Modeling melanin without taking into consideration the heterogeneous surface morphology yields results that underestimate the strongest signals or over{estimate their spatial extent. We present a new technique to image phase changes induced by heating using a computational model of melanin that exhibits these surface heterogeneities. From this analysis, we demonstrate the heterogeneous energy absorption and resulting heating that occurs at the surface of the melanin granule that is consistent with three{photon absorption. Using the three{photon dluorescence as a beacon, we propose a method for detecting the extents of the melanin granule using photothermal microscopy to measure the phase changes resulting from the heating of the melanin.

  17. Computational modelling of microfluidic capillary breakup phenomena

    NASA Astrophysics Data System (ADS)

    Li, Yuan; Sprittles, James; Oliver, Jim

    2013-11-01

    Capillary breakup phenomena occur in microfluidic flows when liquid volumes divide. The fundamental process of breakup is a key factor in the functioning of a number of microfluidic devices such as 3D-Printers or Lab-on-Chip biomedical technologies. It is well known that the conventional model of breakup is singular as pinch-off is approached, but, despite this, theoretical predictions of the global flow on the millimetre-scale appear to agree well with experimental data, at least until the topological change. However, as one approaches smaller scales, where interfacial effects become more dominant, it is likely that such unphysical singularities will influence the global dynamics of the drop formation process. In this talk we develop a computational framework based on the finite element method capable of resolving diverse spatio-temporal scales for the axisymmetric breakup of a liquid jet, so that the pinch-off dynamics can be accurately captured. As well as the conventional model, we discuss the application of the interface formation model to this problem, which allows the pinch-off to be resolved singularity-free, and has already been shown to produce improved flow predictions for related ``singular'' capillary flows.

  18. Computational Process Modeling for Additive Manufacturing (OSU)

    NASA Technical Reports Server (NTRS)

    Bagg, Stacey; Zhang, Wei

    2015-01-01

    Powder-Bed Additive Manufacturing (AM) through Direct Metal Laser Sintering (DMLS) or Selective Laser Melting (SLM) is being used by NASA and the Aerospace industry to "print" parts that traditionally are very complex, high cost, or long schedule lead items. The process spreads a thin layer of metal powder over a build platform, then melts the powder in a series of welds in a desired shape. The next layer of powder is applied, and the process is repeated until layer-by-layer, a very complex part can be built. This reduces cost and schedule by eliminating very complex tooling and processes traditionally used in aerospace component manufacturing. To use the process to print end-use items, NASA seeks to understand SLM material well enough to develop a method of qualifying parts for space flight operation. Traditionally, a new material process takes many years and high investment to generate statistical databases and experiential knowledge, but computational modeling can truncate the schedule and cost -many experiments can be run quickly in a model, which would take years and a high material cost to run empirically. This project seeks to optimize material build parameters with reduced time and cost through modeling.

  19. Computational Aspects of N-Mixture Models

    PubMed Central

    Dennis, Emily B; Morgan, Byron JT; Ridout, Martin S

    2015-01-01

    The N-mixture model is widely used to estimate the abundance of a population in the presence of unknown detection probability from only a set of counts subject to spatial and temporal replication (Royle, 2004, Biometrics 60, 105–115). We explain and exploit the equivalence of N-mixture and multivariate Poisson and negative-binomial models, which provides powerful new approaches for fitting these models. We show that particularly when detection probability and the number of sampling occasions are small, infinite estimates of abundance can arise. We propose a sample covariance as a diagnostic for this event, and demonstrate its good performance in the Poisson case. Infinite estimates may be missed in practice, due to numerical optimization procedures terminating at arbitrarily large values. It is shown that the use of a bound, K, for an infinite summation in the N-mixture likelihood can result in underestimation of abundance, so that default values of K in computer packages should be avoided. Instead we propose a simple automatic way to choose K. The methods are illustrated by analysis of data on Hermann's tortoise Testudo hermanni. PMID:25314629

  20. Computational model for protein unfolding simulation

    NASA Astrophysics Data System (ADS)

    Tian, Xu-Hong; Zheng, Ye-Han; Jiao, Xiong; Liu, Cai-Xing; Chang, Shan

    2011-06-01

    The protein folding problem is one of the fundamental and important questions in molecular biology. However, the all-atom molecular dynamics studies of protein folding and unfolding are still computationally expensive and severely limited by the time scale of simulation. In this paper, a simple and fast protein unfolding method is proposed based on the conformational stability analyses and structure modeling. In this method, two structure-based conditions are considered to identify the unstable regions of proteins during the unfolding processes. The protein unfolding trajectories are mimicked through iterative structure modeling according to conformational stability analyses. Two proteins, chymotrypsin inhibitor 2 (CI2) and α -spectrin SH3 domain (SH3) were simulated by this method. Their unfolding pathways are consistent with the previous molecular dynamics simulations. Furthermore, the transition states of the two proteins were identified in unfolding processes and the theoretical Φ values of these transition states showed significant correlations with the experimental data (the correlation coefficients are >0.8). The results indicate that this method is effective in studying protein unfolding. Moreover, we analyzed and discussed the influence of parameters on the unfolding simulation. This simple coarse-grained model may provide a general and fast approach for the mechanism studies of protein folding.

  1. Gravothermal Star Clusters - Theory and Computer Modelling

    NASA Astrophysics Data System (ADS)

    Spurzem, Rainer

    2010-11-01

    In the George Darwin lecture, delivered to the British Royal Astronomical Society in 1960 by Viktor A. Ambartsumian he wrote on the evolution of stellar systems that it can be described by the "dynamic evolution of a gravitating gas" complemented by "a statistical description of the changes in the physical states of stars". This talk will show how this physical concept has inspired theoretical modeling of star clusters in the following decades up to the present day. The application of principles of thermodynamics shows, as Ambartsumian argued in his 1960 lecture, that there is no stable state of equilibrium of a gravitating star cluster. The trend to local thermodynamic equilibrium is always disturbed by escaping stars (Ambartsumian), as well as by gravothermal and gravogyro instabilities, as it was detected later. Here the state-of-the-art of modeling the evolution of dense stellar systems based on principles of thermodynamics and statistical mechanics (Fokker-Planck approximation) will be reviewed. Recent progress including rotation and internal correlations (primordial binaries) is presented. The models have also very successfully been used to study dense star clusters around massive black holes in galactic nuclei and even (in a few cases) relativistic supermassive dense objects in centres of galaxies (here again briefly touching one of the many research fields of V.A. Ambartsumian). For the modern present time of high-speed supercomputing, where we are tackling direct N-body simulations of star clusters, we will show that such direct modeling supports and proves the concept of the statistical models based on the Fokker-Planck theory, and that both theoretical concepts and direct computer simulations are necessary to support each other and make scientific progress in the study of star cluster evolution.

  2. Scene-of-crime analysis by a 3-dimensional optical digitizer: a useful perspective for forensic science.

    PubMed

    Sansoni, Giovanna; Cattaneo, Cristina; Trebeschi, Marco; Gibelli, Daniele; Poppa, Pasquale; Porta, Davide; Maldarella, Monica; Picozzi, Massimo

    2011-09-01

    Analysis and detailed registration of the crime scene are of the utmost importance during investigations. However, this phase of activity is often affected by the risk of loss of evidence due to the limits of traditional scene of crime registration methods (ie, photos and videos). This technical note shows the utility of the application of a 3-dimensional optical digitizer on different crime scenes. This study aims in fact at verifying the importance and feasibility of contactless 3-dimensional reconstruction and modeling by optical digitization to achieve an optimal registration of the crime scene. PMID:21811148

  3. Improvement performance of secondary clarifiers by a computational fluid dynamics model

    NASA Astrophysics Data System (ADS)

    Ghawi, Ali G.; Kriš, J.

    2011-12-01

    Secondary clarifier is one of the most commonly used unit operations in wastewater treatment plants. It is customarily designed to achieve the separation of solids from biologically treated effluents through the clarification of biological solids and the thickening of sludge. As treatment plants receive increasingly high wastewater flows, conventional sedimentation tanks suffer from overloading problems, which result in poor performance. Modification of inlet baffles through the use of an energy dissipating inlet (EDI) was proposed to enhance the performance in the circular clarifiers at the Al-Dewanyia wastewater treatment plant. A 3-dimensional fully mass conservative clarifier model, based on modern computational fluid dynamics theory, was applied to evaluate the proposed tank modification and to estimate the maximum capacity of the existing and modified clarifiers. A Computational Fluid Dynamics (CFD) model was formulated to describe the tank is performance, and design parameters were obtained based on the experimental results. The study revealed that velocity and (suspended solids) SS is a better parameter than TS (total solids), (Biochemical Oxygen Demand) BOD, (Chemical Oxygen Demand) COD to evaluate the performance of sedimentation tanks and that the removal efficiencies of the suspended solids, biochemical oxygen demand, and chemical oxygen demand were higher in the baffle.

  4. Final technical report for DOE Computational Nanoscience Project: Integrated Multiscale Modeling of Molecular Computing Devices

    SciTech Connect

    Cummings, P. T.

    2010-02-08

    This document reports the outcomes of the Computational Nanoscience Project, "Integrated Multiscale Modeling of Molecular Computing Devices". It includes a list of participants and publications arising from the research supported.

  5. Getting Mental Models and Computer Models to Cooperate

    NASA Technical Reports Server (NTRS)

    Sheridan, T. B.; Roseborough, J.; Charney, L.; Mendel, M.

    1984-01-01

    A qualitative theory of supervisory control is outlined wherein the mental models of one or more human operators are related to the knowledge representations within automatic controllers (observers, estimators) and operator decision aids (expert systems, advice-givers). Methods of quantifying knowledge and the calibration of one knowledge representation to another (human, computer, or objective truth) are discussed. Ongoing experiments in the use of decision aids for exploring one's own objective function or exploring system constraints and control strategies are described.

  6. PROMALS3D: multiple protein sequence alignment enhanced with evolutionary and 3-dimensional structural information

    PubMed Central

    Pei, Jimin; Grishin, Nick V.

    2015-01-01

    SUMMARY Multiple sequence alignment (MSA) is an essential tool with many applications in bioinformatics and computational biology. Accurate MSA construction for divergent proteins remains a difficult computational task. The constantly increasing protein sequences and structures in public databases could be used to improve alignment quality. PROMALS3D is a tool for protein MSA construction enhanced with additional evolutionary and structural information from database searches. PROMALS3D automatically identifies homologs from sequence and structure databases for input proteins, derives structure-based constraints from alignments of 3-dimensional structures, and combines them with sequence-based constraints of profile-profile alignments in a consistency-based framework to construct high-quality multiple sequence alignments. PROMALS3D output is a consensus alignment enriched with sequence and structural information about input proteins and their homologs. PROMALS3D web server and package are available at http://prodata.swmed.edu/PROMALS3D. PMID:24170408

  7. Computational modeling of acute myocardial infarction.

    PubMed

    Sáez, P; Kuhl, E

    2016-01-01

    Myocardial infarction, commonly known as heart attack, is caused by reduced blood supply and damages the heart muscle because of a lack of oxygen. Myocardial infarction initiates a cascade of biochemical and mechanical events. In the early stages, cardiomyocytes death, wall thinning, collagen degradation, and ventricular dilation are the immediate consequences of myocardial infarction. In the later stages, collagenous scar formation in the infarcted zone and hypertrophy of the non-infarcted zone are auto-regulatory mechanisms to partly correct for these events. Here we propose a computational model for the short-term adaptation after myocardial infarction using the continuum theory of multiplicative growth. Our model captures the effects of cell death initiating wall thinning, and collagen degradation initiating ventricular dilation. Our simulations agree well with clinical observations in early myocardial infarction. They represent a first step toward simulating the progression of myocardial infarction with the ultimate goal to predict the propensity toward heart failure as a function of infarct intensity, location, and size. PMID:26583449

  8. Random matrix model of adiabatic quantum computing

    SciTech Connect

    Mitchell, David R.; Adami, Christoph; Lue, Waynn; Williams, Colin P.

    2005-05-15

    We present an analysis of the quantum adiabatic algorithm for solving hard instances of 3-SAT (an NP-complete problem) in terms of random matrix theory (RMT). We determine the global regularity of the spectral fluctuations of the instantaneous Hamiltonians encountered during the interpolation between the starting Hamiltonians and the ones whose ground states encode the solutions to the computational problems of interest. At each interpolation point, we quantify the degree of regularity of the average spectral distribution via its Brody parameter, a measure that distinguishes regular (i.e., Poissonian) from chaotic (i.e., Wigner-type) distributions of normalized nearest-neighbor spacings. We find that for hard problem instances - i.e., those having a critical ratio of clauses to variables - the spectral fluctuations typically become irregular across a contiguous region of the interpolation parameter, while the spectrum is regular for easy instances. Within the hard region, RMT may be applied to obtain a mathematical model of the probability of avoided level crossings and concomitant failure rate of the adiabatic algorithm due to nonadiabatic Landau-Zener-type transitions. Our model predicts that if the interpolation is performed at a uniform rate, the average failure rate of the quantum adiabatic algorithm, when averaged over hard problem instances, scales exponentially with increasing problem size.

  9. Computational and Modeling Strategies for Cell Motility

    NASA Astrophysics Data System (ADS)

    Wang, Qi; Yang, Xiaofeng; Adalsteinsson, David; Elston, Timothy C.; Jacobson, Ken; Kapustina, Maryna; Forest, M. Gregory

    A predictive simulation of the dynamics of a living cell remains a fundamental modeling and computational challenge. The challenge does not even make sense unless one specifies the level of detail and the phenomena of interest, whether the focus is on near-equilibrium or strongly nonequilibrium behavior, and on localized, subcellular, or global cell behavior. Therefore, choices have to be made clear at the outset, ranging from distinguishing between prokaryotic and eukaryotic cells, specificity within each of these types, whether the cell is "normal," whether one wants to model mitosis, blebs, migration, division, deformation due to confined flow as with red blood cells, and the level of microscopic detail for any of these processes. The review article by Hoffman and Crocker [48] is both an excellent overview of cell mechanics and an inspiration for our approach. One might be interested, for example, in duplicating the intricate experimental details reported in [43]: "actin polymerization periodically builds a mechanical link, the lamellipodium, connecting myosin motors with the initiation of adhesion sites, suggesting that the major functions driving motility are coordinated by a biomechanical process," or to duplicate experimental evidence of traveling waves in cells recovering from actin depolymerization [42, 35]. Modeling studies of lamellipodial structure, protrusion, and retraction behavior range from early mechanistic models [84] to more recent deterministic [112, 97] and stochastic [51] approaches with significant biochemical and structural detail. Recent microscopic-macroscopic models and algorithms for cell blebbing have been developed by Young and Mitran [116], which update cytoskeletal microstructure via statistical sampling techniques together with fluid variables. Alternatively, whole cell compartment models (without spatial details) of oscillations in spreading cells have been proposed [35, 92, 109] which show positive and negative feedback

  10. Computational modeling of composite material fires.

    SciTech Connect

    Brown, Alexander L.; Erickson, Kenneth L.; Hubbard, Joshua Allen; Dodd, Amanda B.

    2010-10-01

    condition is examined to study the propagation of decomposition fronts of the epoxy and carbon fiber and their dependence on the ambient conditions such as oxygen concentration, surface flow velocity, and radiant heat flux. In addition to the computational effort, small scaled experimental efforts to attain adequate data used to validate model predictions is ongoing. The goal of this paper is to demonstrate the progress of the capability for a typical composite material and emphasize the path forward.

  11. 3-Dimensional Imaging Modalities for Phenotyping Genetically Engineered Mice

    PubMed Central

    Powell, K. A.; Wilson, D.

    2013-01-01

    A variety of 3-dimensional (3D) digital imaging modalities are available for whole-body assessment of genetically engineered mice: magnetic resonance microscopy (MRM), X-ray microcomputed tomography (microCT), optical projection tomography (OPT), episcopic and cryoimaging, and ultrasound biomicroscopy (UBM). Embryo and adult mouse phenotyping can be accomplished at microscopy or near microscopy spatial resolutions using these modalities. MRM and microCT are particularly well-suited for evaluating structural information at the organ level, whereas episcopic and OPT imaging provide structural and functional information from molecular fluorescence imaging at the cellular level. UBM can be used to monitor embryonic development longitudinally in utero. Specimens are not significantly altered during preparation, and structures can be viewed in their native orientations. Technologies for rapid automated data acquisition and high-throughput phenotyping have been developed and continually improve as this exciting field evolves. PMID:22146851

  12. Modeling And Simulation Of Bar Code Scanners Using Computer Aided Design Software

    NASA Astrophysics Data System (ADS)

    Hellekson, Ron; Campbell, Scott

    1988-06-01

    Many optical systems have demanding requirements to package the system in a small 3 dimensional space. The use of computer graphic tools can be a tremendous aid to the designer in analyzing the optical problems created by smaller and less costly systems. The Spectra Physics grocery store bar code scanner employs an especially complex 3 dimensional scan pattern to read bar code labels. By using a specially written program which interfaces with a computer aided design system, we have simulated many of the functions of this complex optical system. In this paper we will illustrate how a recent version of the scanner has been designed. We will discuss the use of computer graphics in the design process including interactive tweaking of the scan pattern, analysis of collected light, analysis of the scan pattern density, and analysis of the manufacturing tolerances used to build the scanner.

  13. Water uptake by a maize root system - An explicit numerical 3-dimensional simulation.

    NASA Astrophysics Data System (ADS)

    Leitner, Daniel; Schnepf, Andrea; Klepsch, Sabine; Roose, Tiina

    2010-05-01

    Water is one of the most important resources for plant growth and function. An accurate modelling of the unsaturated flow is not only substantial to predict water uptake but also important to describe nutrient movement regarding water saturation and transport. In this work we present a model for water uptake. The model includes the simultaneous flow of water inside the soil and inside the root network. Water saturation in the soil volume is described by the Richards equation. Water flow inside the roots' xylem is calculated using the Poiseuille law for water flow in a cylindrical tube. The water saturation in the soil as well as water uptake of the root system is calculated numerically in three dimensions. We study water uptake of a maize plant in a confined pot under different supply scenarios. The main improvement of our approach is that the root surfaces act as spatial boundaries of the soil volume. Therefore water influx into the root is described by a surface flux instead of a volume flux, which is commonly given by an effective sink term. For the numerical computation we use the following software: The 3-dimensional maize root architecture is created by a root growth model based on L-Systems (Leitner et al 2009). A mesh of the surrounding soil volume is created using the meshing software DistMesh (Persson & Strang 2004). Using this mesh the partial differential equations are solved with the finite element method using Comsol Multiphysics 3.5a. Modelling results are related to accepted water uptake models from literature (Clausnitzer & Hopmans 1994, Roose & Fowler 2004, Javaux et al 2007). This new approach has several advantages. By considering the individual roots it is possible to analyse the influence of overlapping depletion zones due to inter root competition. Furthermore, such simulations can be used to estimate the influence of simplifying assumptions that are made in the development of effective models. The model can be easily combined with a nutrient

  14. AIR INGRESS ANALYSIS: COMPUTATIONAL FLUID DYNAMIC MODELS

    SciTech Connect

    Chang H. Oh; Eung S. Kim; Richard Schultz; Hans Gougar; David Petti; Hyung S. Kang

    2010-08-01

    The Idaho National Laboratory (INL), under the auspices of the U.S. Department of Energy, is performing research and development that focuses on key phenomena important during potential scenarios that may occur in very high temperature reactors (VHTRs). Phenomena Identification and Ranking Studies to date have ranked an air ingress event, following on the heels of a VHTR depressurization, as important with regard to core safety. Consequently, the development of advanced air ingress-related models and verification and validation data are a very high priority. Following a loss of coolant and system depressurization incident, air will enter the core of the High Temperature Gas Cooled Reactor through the break, possibly causing oxidation of the in-the core and reflector graphite structure. Simple core and plant models indicate that, under certain circumstances, the oxidation may proceed at an elevated rate with additional heat generated from the oxidation reaction itself. Under postulated conditions of fluid flow and temperature, excessive degradation of the lower plenum graphite can lead to a loss of structural support. Excessive oxidation of core graphite can also lead to the release of fission products into the confinement, which could be detrimental to a reactor safety. Computational fluid dynamic model developed in this study will improve our understanding of this phenomenon. This paper presents two-dimensional and three-dimensional CFD results for the quantitative assessment of the air ingress phenomena. A portion of results of the density-driven stratified flow in the inlet pipe will be compared with results of the experimental results.

  15. Computational modeling of solid oxide fuel cell

    NASA Astrophysics Data System (ADS)

    Penmetsa, Satish Kumar

    In the ongoing search for alternative and environmentally friendly power generation facilities, the solid oxide fuel cell (SOFC) is considered one of the prime candidates for the next generation of energy conversion devices due to its capability to provide environmentally friendly and highly efficient power generation. Moreover, SOFCs are less sensitive to composition of fuel as compared to other types of fuel cells, and internal reforming of the hydrocarbon fuel cell can be performed because of higher operating temperature range of 700°C--1000°C. This allows us to use different types of hydrocarbon fuels in SOFCs. The objective of this study is to develop a three-dimensional computational model for the simulation of a solid oxide fuel cell unit to analyze the complex internal transport mechanisms and sensitivity of the cell with different operating conditions, and also to develop SOFC with higher operating current density with a more uniform gas distributions in the electrodes and with lower ohmic losses. This model includes mass transfer processes due to convection and diffusion in the gas flow channels based on the Navier-Stokes equations as well as combined diffusion and advection in electrodes using Brinkman's hydrodynamic equation and associated electrochemical reactions in the trilayer of the SOFC. Gas transport characteristics in terms of three-dimensional spatial distributions of reactant gases and their effects on electrochemical reactions at the electrode-electrolyte interface, and in the resulting polarizations, are evaluated for varying pressure conditions. Results show the significance of the Brinkman's hydrodynamic model in electrodes to achieve more uniform gas concentration distributions while using a higher operating pressure and over a higher range of operating current densities.

  16. A 3-dimensional finite-difference method for calculating the dynamic coefficients of seals

    NASA Technical Reports Server (NTRS)

    Dietzen, F. J.; Nordmann, R.

    1989-01-01

    A method to calculate the dynamic coefficients of seals with arbitrary geometry is presented. The Navier-Stokes equations are used in conjunction with the k-e turbulence model to describe the turbulent flow. These equations are solved by a full 3-dimensional finite-difference procedure instead of the normally used perturbation analysis. The time dependence of the equations is introduced by working with a coordinate system rotating with the precession frequency of the shaft. The results of this theory are compared with coefficients calculated by a perturbation analysis and with experimental results.

  17. 3-Dimensional quantitative detection of nanoparticle content in biological tissue samples after local cancer treatment

    NASA Astrophysics Data System (ADS)

    Rahn, Helene; Alexiou, Christoph; Trahms, Lutz; Odenbach, Stefan

    2014-06-01

    X-ray computed tomography is nowadays used for a wide range of applications in medicine, science and technology. X-ray microcomputed tomography (XµCT) follows the same principles used for conventional medical CT scanners, but improves the spatial resolution to a few micrometers. We present an example of an application of X-ray microtomography, a study of 3-dimensional biodistribution, as along with the quantification of nanoparticle content in tumoral tissue after minimally invasive cancer therapy. One of these minimal invasive cancer treatments is magnetic drug targeting, where the magnetic nanoparticles are used as controllable drug carriers. The quantification is based on a calibration of the XµCT-equipment. The developed calibration procedure of the X-ray-µCT-equipment is based on a phantom system which allows the discrimination between the various gray values of the data set. These phantoms consist of a biological tissue substitute and magnetic nanoparticles. The phantoms have been studied with XµCT and have been examined magnetically. The obtained gray values and nanoparticle concentration lead to a calibration curve. This curve can be applied to tomographic data sets. Accordingly, this calibration enables a voxel-wise assignment of gray values in the digital tomographic data set to nanoparticle content. Thus, the calibration procedure enables a 3-dimensional study of nanoparticle distribution as well as concentration.

  18. Biocellion: accelerating computer simulation of multicellular biological system models

    PubMed Central

    Kang, Seunghwa; Kahan, Simon; McDermott, Jason; Flann, Nicholas; Shmulevich, Ilya

    2014-01-01

    Motivation: Biological system behaviors are often the outcome of complex interactions among a large number of cells and their biotic and abiotic environment. Computational biologists attempt to understand, predict and manipulate biological system behavior through mathematical modeling and computer simulation. Discrete agent-based modeling (in combination with high-resolution grids to model the extracellular environment) is a popular approach for building biological system models. However, the computational complexity of this approach forces computational biologists to resort to coarser resolution approaches to simulate large biological systems. High-performance parallel computers have the potential to address the computing challenge, but writing efficient software for parallel computers is difficult and time-consuming. Results: We have developed Biocellion, a high-performance software framework, to solve this computing challenge using parallel computers. To support a wide range of multicellular biological system models, Biocellion asks users to provide their model specifics by filling the function body of pre-defined model routines. Using Biocellion, modelers without parallel computing expertise can efficiently exploit parallel computers with less effort than writing sequential programs from scratch. We simulate cell sorting, microbial patterning and a bacterial system in soil aggregate as case studies. Availability and implementation: Biocellion runs on x86 compatible systems with the 64 bit Linux operating system and is freely available for academic use. Visit http://biocellion.com for additional information. Contact: seunghwa.kang@pnnl.gov PMID:25064572

  19. Methodology for Uncertainty Analysis of Dynamic Computational Toxicology Models

    EPA Science Inventory

    The task of quantifying the uncertainty in both parameter estimates and model predictions has become more important with the increased use of dynamic computational toxicology models by the EPA. Dynamic toxicological models include physiologically-based pharmacokinetic (PBPK) mode...

  20. Predictive Capability Maturity Model for computational modeling and simulation.

    SciTech Connect

    Oberkampf, William Louis; Trucano, Timothy Guy; Pilch, Martin M.

    2007-10-01

    The Predictive Capability Maturity Model (PCMM) is a new model that can be used to assess the level of maturity of computational modeling and simulation (M&S) efforts. The development of the model is based on both the authors experience and their analysis of similar investigations in the past. The perspective taken in this report is one of judging the usefulness of a predictive capability that relies on the numerical solution to partial differential equations to better inform and improve decision making. The review of past investigations, such as the Software Engineering Institute's Capability Maturity Model Integration and the National Aeronautics and Space Administration and Department of Defense Technology Readiness Levels, indicates that a more restricted, more interpretable method is needed to assess the maturity of an M&S effort. The PCMM addresses six contributing elements to M&S: (1) representation and geometric fidelity, (2) physics and material model fidelity, (3) code verification, (4) solution verification, (5) model validation, and (6) uncertainty quantification and sensitivity analysis. For each of these elements, attributes are identified that characterize four increasing levels of maturity. Importantly, the PCMM is a structured method for assessing the maturity of an M&S effort that is directed toward an engineering application of interest. The PCMM does not assess whether the M&S effort, the accuracy of the predictions, or the performance of the engineering system satisfies or does not satisfy specified application requirements.

  1. Precise orbit computation and sea surface modeling

    NASA Technical Reports Server (NTRS)

    Wakker, Karel F.; Ambrosius, B. A. C.; Rummel, R.; Vermaat, E.; Deruijter, W. P. M.; Vandermade, J. W.; Zimmerman, J. T. F.

    1991-01-01

    The research project described below is part of a long-term program at Delft University of Technology aiming at the application of European Remote Sensing satellite (ERS-1) and TOPEX/POSEIDON altimeter measurements for geophysical purposes. This program started in 1980 with the processing of Seasat laser range and altimeter height measurements and concentrates today on the analysis of Geosat altimeter data. The objectives of the TOPEX/POSEIDON research project are the tracking of the satellite by the Dutch mobile laser tracking system MTLRS-2, the computation of precise TOPEX/POSEIDON orbits, the analysis of the spatial and temporal distribution of the orbit errors, the improvement of ERS-1 orbits through the information obtained from the altimeter crossover difference residuals for crossing ERS-1 and TOPEX/POSEIDON tracks, the combination of ERS-1 and TOPEX/POSEIDON altimeter data into a single high-precision data set, and the application of this data set to model the sea surface. The latter application will focus on the determination of detailed regional mean sea surfaces, sea surface variability, ocean topography, and ocean currents in the North Atlantic, the North Sea, the seas around Indonesia, the West Pacific, and the oceans around South Africa.

  2. Structural computational modeling of RNA aptamers.

    PubMed

    Xu, Xiaojun; Dickey, David D; Chen, Shi-Jie; Giangrande, Paloma H

    2016-07-01

    RNA aptamers represent an emerging class of biologics that can be easily adapted for personalized and precision medicine. Several therapeutic aptamers with desirable binding and functional properties have been developed and evaluated in preclinical studies over the past 25years. However, for the majority of these aptamers, their clinical potential has yet to be realized. A significant hurdle to the clinical adoption of this novel class of biologicals is the limited information on their secondary and tertiary structure. Knowledge of the RNA's structure would greatly facilitate and expedite the post-selection optimization steps required for translation, including truncation (to reduce costs of manufacturing), chemical modification (to enhance stability and improve safety) and chemical conjugation (to improve drug properties for combinatorial therapy). Here we describe a structural computational modeling methodology that when coupled to a standard functional assay, can be used to determine key sequence and structural motifs of an RNA aptamer. We applied this methodology to enable the truncation of an aptamer to prostate specific membrane antigen (PSMA) with great potential for targeted therapy that had failed previous truncation attempts. This methodology can be easily applied to optimize other aptamers with therapeutic potential. PMID:26972787

  3. Structural computational modeling of RNA aptamers

    PubMed Central

    Xu, Xiaojun; Dickey, David D.; Chen, Shi-Jie; Giangrande, Paloma H.

    2016-01-01

    RNA aptamers represent an emerging class of biologics that can be easily adapted for personalized and precision medicine. Several therapeutic aptamers with desirable binding and functional properties have been developed and evaluated in preclinical studies over the past 25 years. However, for the majority of these aptamers, their clinical potential has yet to be realized. A significant hurdle to the clinical adoption of this novel class of biologicals is the limited information on their secondary and tertiary structure. Knowledge of the RNA’s structure would greatly facilitate and expedite the post-selection optimization steps required for translation, including truncation (to reduce costs of manufacturing), chemical modification (to enhance stability and improve safety) and chemical conjugation (to improve drug properties for combinatorial therapy). Here we describe a structural computational modeling methodology that when coupled to a standard functional assay, can be used to determine key sequence and structural motifs of an RNA aptamer. We applied this methodology to enable the truncation of an aptamer to prostate specific membrane antigen (PSMA) with great potential for targeted therapy that had failed previous truncation attempts. This methodology can be easily applied to optimize other aptamers with therapeutic potential. PMID:26972787

  4. Computational modeling of epidural cortical stimulation

    NASA Astrophysics Data System (ADS)

    Wongsarnpigoon, Amorn; Grill, Warren M.

    2008-12-01

    Epidural cortical stimulation (ECS) is a developing therapy to treat neurological disorders. However, it is not clear how the cortical anatomy or the polarity and position of the electrode affects current flow and neural activation in the cortex. We developed a 3D computational model simulating ECS over the precentral gyrus. With the electrode placed directly above the gyrus, about half of the stimulus current flowed through the crown of the gyrus while current density was low along the banks deep in the sulci. Beneath the electrode, neurons oriented perpendicular to the cortical surface were depolarized by anodic stimulation, and neurons oriented parallel to the boundary were depolarized by cathodic stimulation. Activation was localized to the crown of the gyrus, and neurons on the banks deep in the sulci were not polarized. During regulated voltage stimulation, the magnitude of the activating function was inversely proportional to the thickness of the CSF and dura. During regulated current stimulation, the activating function was not sensitive to the thickness of the dura but was slightly more sensitive than during regulated voltage stimulation to the thickness of the CSF. Varying the width of the gyrus and the position of the electrode altered the distribution of the activating function due to changes in the orientation of the neurons beneath the electrode. Bipolar stimulation, although often used in clinical practice, reduced spatial selectivity as well as selectivity for neuron orientation.

  5. Geometric modeling for computer aided design

    NASA Technical Reports Server (NTRS)

    Schwing, James L.; Olariu, Stephen

    1995-01-01

    The primary goal of this grant has been the design and implementation of software to be used in the conceptual design of aerospace vehicles particularly focused on the elements of geometric design, graphical user interfaces, and the interaction of the multitude of software typically used in this engineering environment. This has resulted in the development of several analysis packages and design studies. These include two major software systems currently used in the conceptual level design of aerospace vehicles. These tools are SMART, the Solid Modeling Aerospace Research Tool, and EASIE, the Environment for Software Integration and Execution. Additional software tools were designed and implemented to address the needs of the engineer working in the conceptual design environment. SMART provides conceptual designers with a rapid prototyping capability and several engineering analysis capabilities. In addition, SMART has a carefully engineered user interface that makes it easy to learn and use. Finally, a number of specialty characteristics have been built into SMART which allow it to be used efficiently as a front end geometry processor for other analysis packages. EASIE provides a set of interactive utilities that simplify the task of building and executing computer aided design systems consisting of diverse, stand-alone, analysis codes. Resulting in a streamlining of the exchange of data between programs reducing errors and improving the efficiency. EASIE provides both a methodology and a collection of software tools to ease the task of coordinating engineering design and analysis codes.

  6. ADVANCED COMPUTATIONAL METHODS IN DOSE MODELING

    EPA Science Inventory

    The overall goal of the EPA-ORD NERL research program on Computational Toxicology (CompTox) is to provide the Agency with the tools of modern chemistry, biology, and computing to improve quantitative risk assessments and reduce uncertainties in the source-to-adverse outcome conti...

  7. Learning Anatomy: Do New Computer Models Improve Spatial Understanding?

    ERIC Educational Resources Information Center

    Garg, Amit; Norman, Geoff; Spero, Lawrence; Taylor, Ian

    1999-01-01

    Assesses desktop-computer models that rotate in virtual three-dimensional space. Compares spatial learning with a computer carpal-bone model horizontally rotating at 10-degree views with the same model rotating at 90-degree views. (Author/CCM)

  8. Computational Modeling of Magnetically Actuated Propellant Orientation

    NASA Technical Reports Server (NTRS)

    Hochstein, John I.

    1996-01-01

    sufficient performance to support cryogenic propellant management tasks. In late 1992, NASA MSFC began a new investigation in this technology commencing with the design of the Magnetically-Actuated Propellant Orientation (MAPO) experiment. A mixture of ferrofluid and water is used to simulate the paramagnetic properties of LOX and the experiment is being flown on the KC-135 aircraft to provide a reduced gravity environment. The influence of a 0.4 Tesla ring magnet on flow into and out of a subscale Plexiglas tank is being recorded on video tape. The most efficient approach to evaluating the feasibility of MAPO is to compliment the experimental program with development of a computational tool to model the process of interest. The goal of the present research is to develop such a tool. Once confidence in its fidelity is established by comparison to data from the MAPO experiment, it can be used to assist in the design of future experiments and to study the parameter space of the process. Ultimately, it is hoped that the computational model can serve as a design tool for full-scale spacecraft applications.

  9. Using Virtual Reality Computer Models to Support Student Understanding of Astronomical Concepts

    ERIC Educational Resources Information Center

    Barnett, Michael; Yamagata-Lynch, Lisa; Keating, Tom; Barab, Sasha A.; Hay, Kenneth E.

    2005-01-01

    The purpose of this study was to examine how 3-dimensional (3-D) models of the Solar System supported student development of conceptual understandings of various astronomical phenomena that required a change in frame of reference. In the course described in this study, students worked in teams to design and construct 3-D virtual reality computer…

  10. Idealized computational models for auditory receptive fields.

    PubMed

    Lindeberg, Tony; Friberg, Anders

    2015-01-01

    We present a theory by which idealized models of auditory receptive fields can be derived in a principled axiomatic manner, from a set of structural properties to (i) enable invariance of receptive field responses under natural sound transformations and (ii) ensure internal consistency between spectro-temporal receptive fields at different temporal and spectral scales. For defining a time-frequency transformation of a purely temporal sound signal, it is shown that the framework allows for a new way of deriving the Gabor and Gammatone filters as well as a novel family of generalized Gammatone filters, with additional degrees of freedom to obtain different trade-offs between the spectral selectivity and the temporal delay of time-causal temporal window functions. When applied to the definition of a second-layer of receptive fields from a spectrogram, it is shown that the framework leads to two canonical families of spectro-temporal receptive fields, in terms of spectro-temporal derivatives of either spectro-temporal Gaussian kernels for non-causal time or a cascade of time-causal first-order integrators over the temporal domain and a Gaussian filter over the logspectral domain. For each filter family, the spectro-temporal receptive fields can be either separable over the time-frequency domain or be adapted to local glissando transformations that represent variations in logarithmic frequencies over time. Within each domain of either non-causal or time-causal time, these receptive field families are derived by uniqueness from the assumptions. It is demonstrated how the presented framework allows for computation of basic auditory features for audio processing and that it leads to predictions about auditory receptive fields with good qualitative similarity to biological receptive fields measured in the inferior colliculus (ICC) and primary auditory cortex (A1) of mammals. PMID:25822973

  11. Idealized Computational Models for Auditory Receptive Fields

    PubMed Central

    Lindeberg, Tony; Friberg, Anders

    2015-01-01

    We present a theory by which idealized models of auditory receptive fields can be derived in a principled axiomatic manner, from a set of structural properties to (i) enable invariance of receptive field responses under natural sound transformations and (ii) ensure internal consistency between spectro-temporal receptive fields at different temporal and spectral scales. For defining a time-frequency transformation of a purely temporal sound signal, it is shown that the framework allows for a new way of deriving the Gabor and Gammatone filters as well as a novel family of generalized Gammatone filters, with additional degrees of freedom to obtain different trade-offs between the spectral selectivity and the temporal delay of time-causal temporal window functions. When applied to the definition of a second-layer of receptive fields from a spectrogram, it is shown that the framework leads to two canonical families of spectro-temporal receptive fields, in terms of spectro-temporal derivatives of either spectro-temporal Gaussian kernels for non-causal time or a cascade of time-causal first-order integrators over the temporal domain and a Gaussian filter over the logspectral domain. For each filter family, the spectro-temporal receptive fields can be either separable over the time-frequency domain or be adapted to local glissando transformations that represent variations in logarithmic frequencies over time. Within each domain of either non-causal or time-causal time, these receptive field families are derived by uniqueness from the assumptions. It is demonstrated how the presented framework allows for computation of basic auditory features for audio processing and that it leads to predictions about auditory receptive fields with good qualitative similarity to biological receptive fields measured in the inferior colliculus (ICC) and primary auditory cortex (A1) of mammals. PMID:25822973

  12. Computer modeling of a convective steam superheater

    NASA Astrophysics Data System (ADS)

    Trojan, Marcin

    2015-03-01

    Superheater is for generating superheated steam from the saturated steam from the evaporator outlet. In the case of pulverized coal fired boiler, a relatively small amount of ash causes problems with ash fouling on the heating surfaces, including the superheaters. In the convection pass of the boiler, the flue gas temperature is lower and ash deposits can be loose or sintered. Ash fouling not only reduces heat transfer from the flue gas to the steam, but also is the cause of a higher pressure drop on the flue gas flow path. In the case the pressure drop is greater than the power consumed by the fan increases. If the superheater surfaces are covered with ash than the steam temperature at the outlet of the superheater stages falls, and the flow rates of the water injected into attemperator should be reduced. There is also an increase in flue gas temperature after the different stages of the superheater. Consequently, this leads to a reduction in boiler efficiency. The paper presents the results of computational fluid dynamics simulations of the first stage superheater of both the boiler OP-210M using the commercial software. The temperature distributions of the steam and flue gas along the way they flow together with temperature of the tube walls and temperature of the ash deposits will be determined. The calculated steam temperature is compared with measurement results. Knowledge of these temperatures is of great practical importance because it allows to choose the grade of steel for a given superheater stage. Using the developed model of the superheater to determine its degree of ash fouling in the on-line mode one can control the activation frequency of steam sootblowers.

  13. Ablative Rocket Deflector Testing and Computational Modeling

    NASA Technical Reports Server (NTRS)

    Allgood, Daniel C.; Lott, Jeffrey W.; Raines, Nickey

    2010-01-01

    A deflector risk mitigation program was recently conducted at the NASA Stennis Space Center. The primary objective was to develop a database that characterizes the behavior of industry-grade refractory materials subjected to rocket plume impingement conditions commonly experienced on static test stands. The program consisted of short and long duration engine tests where the supersonic exhaust flow from the engine impinged on an ablative panel. Quasi time-dependent erosion depths and patterns generated by the plume impingement were recorded for a variety of different ablative materials. The erosion behavior was found to be highly dependent on the material s composition and corresponding thermal properties. For example, in the case of the HP CAST 93Z ablative material, the erosion rate actually decreased under continued thermal heating conditions due to the formation of a low thermal conductivity "crystallization" layer. The "crystallization" layer produced near the surface of the material provided an effective insulation from the hot rocket exhaust plume. To gain further insight into the complex interaction of the plume with the ablative deflector, computational fluid dynamic modeling was performed in parallel to the ablative panel testing. The results from the current study demonstrated that locally high heating occurred due to shock reflections. These localized regions of shock-induced heat flux resulted in non-uniform erosion of the ablative panels. In turn, it was observed that the non-uniform erosion exacerbated the localized shock heating causing eventual plume separation and reversed flow for long duration tests under certain conditions. Overall, the flow simulations compared very well with the available experimental data obtained during this project.

  14. Performance Models for Split-execution Computing Systems

    SciTech Connect

    Humble, Travis S; McCaskey, Alex; Schrock, Jonathan; Seddiqi, Hadayat; Britt, Keith A; Imam, Neena

    2016-01-01

    Split-execution computing leverages the capabilities of multiple computational models to solve problems, but splitting program execution across different computational models incurs costs associated with the translation between domains. We analyze the performance of a split-execution computing system developed from conventional and quantum processing units (QPUs) by using behavioral models that track resource usage. We focus on asymmetric processing models built using conventional CPUs and a family of special-purpose QPUs that employ quantum computing principles. Our performance models account for the translation of a classical optimization problem into the physical representation required by the quantum processor while also accounting for hardware limitations and conventional processor speed and memory. We conclude that the bottleneck in this split-execution computing system lies at the quantum-classical interface and that the primary time cost is independent of quantum processor behavior.

  15. An Integrative Model of Factors Related to Computing Course Performance.

    ERIC Educational Resources Information Center

    Charlton, John P.; Birkett, Paul E.

    1999-01-01

    A path-modeling approach is adopted to examine interrelationships between factors influencing computing behavior and computer course performance. Factors considered are gender, personality, intellect and computer attitudes, ownership, and experience. Intrinsic motivation is suggested as a major factor which can explain many variables' relationship…

  16. Chromosome Conformation of Human Fibroblasts Grown in 3-Dimensional Spheroids

    PubMed Central

    Chen, Haiming; Comment, Nicholas; Chen, Jie; Ronquist, Scott; Hero, Alfred; Ried, Thomas; Rajapakse, Indika

    2015-01-01

    In the study of interphase chromosome organization, genome-wide chromosome conformation capture (Hi-C) maps are often generated using 2-dimensional (2D) monolayer cultures. These 2D cells have morphological deviations from cells that exist in 3-dimensional (3D) tissues in vivo, and may not maintain the same chromosome conformation. We used Hi-C maps to test the extent of differences in chromosome conformation between human fibroblasts grown in 2D cultures and those grown in 3D spheroids. Significant differences in chromosome conformation were found between 2D cells and those grown in spheroids. Intra-chromosomal interactions were generally increased in spheroid cells, with a few exceptions, while inter-chromosomal interactions were generally decreased. Overall, chromosomes located closer to the nuclear periphery had increased intra-chromosomal contacts in spheroid cells, while those located more centrally had decreased interactions. This study highlights the necessity to conduct studies on the topography of the interphase nucleus under conditions that mimic an in vivo environment. PMID:25738643

  17. Thermal crosstalk in 3-dimensional RRAM crossbar array

    PubMed Central

    Sun, Pengxiao; Lu, Nianduan; Li, Ling; Li, Yingtao; Wang, Hong; Lv, Hangbing; Liu, Qi; Long, Shibing; Liu, Su; Liu, Ming

    2015-01-01

    High density 3-dimensional (3D) crossbar resistive random access memory (RRAM) is one of the major focus of the new age technologies. To compete with the ultra-high density NAND and NOR memories, understanding of reliability mechanisms and scaling potential of 3D RRAM crossbar array is needed. Thermal crosstalk is one of the most critical effects that should be considered in 3D crossbar array application. The Joule heat generated inside the RRAM device will determine the switching behavior itself, and for dense memory arrays, the temperature surrounding may lead to a consequent resistance degradation of neighboring devices. In this work, thermal crosstalk effect and scaling potential under thermal effect in 3D RRAM crossbar array are systematically investigated. It is revealed that the reset process is dominated by transient thermal effect in 3D RRAM array. More importantly, thermal crosstalk phenomena could deteriorate device retention performance and even lead to data storage state failure from LRS (low resistance state) to HRS (high resistance state) of the disturbed RRAM cell. In addition, the resistance state degradation will be more serious with continuously scaling down the feature size. Possible methods for alleviating thermal crosstalk effect while further advancing the scaling potential are also provided and verified by numerical simulation. PMID:26310537

  18. Thermal crosstalk in 3-dimensional RRAM crossbar array.

    PubMed

    Sun, Pengxiao; Lu, Nianduan; Li, Ling; Li, Yingtao; Wang, Hong; Lv, Hangbing; Liu, Qi; Long, Shibing; Liu, Su; Liu, Ming

    2015-01-01

    High density 3-dimensional (3D) crossbar resistive random access memory (RRAM) is one of the major focus of the new age technologies. To compete with the ultra-high density NAND and NOR memories, understanding of reliability mechanisms and scaling potential of 3D RRAM crossbar array is needed. Thermal crosstalk is one of the most critical effects that should be considered in 3D crossbar array application. The Joule heat generated inside the RRAM device will determine the switching behavior itself, and for dense memory arrays, the temperature surrounding may lead to a consequent resistance degradation of neighboring devices. In this work, thermal crosstalk effect and scaling potential under thermal effect in 3D RRAM crossbar array are systematically investigated. It is revealed that the reset process is dominated by transient thermal effect in 3D RRAM array. More importantly, thermal crosstalk phenomena could deteriorate device retention performance and even lead to data storage state failure from LRS (low resistance state) to HRS (high resistance state) of the disturbed RRAM cell. In addition, the resistance state degradation will be more serious with continuously scaling down the feature size. Possible methods for alleviating thermal crosstalk effect while further advancing the scaling potential are also provided and verified by numerical simulation. PMID:26310537

  19. 3 Dimensional Diagnosis Unravelling Prognosis of Multiple Impacted Teeth – A Case Report

    PubMed Central

    Gopinath, Adusumilli; Reddy, Naveen Admala; Rohra, Mayur G

    2013-01-01

    Impaction of teeth results from the interplay between nature and nurture. Radiographs play an important role in assessment of both the location and the typing of impacted teeth. In general, periapical, occlusal, and/or panoramic radiographs are sufficient for providing the information required by the clinician. Recent advances in diagnostic imaging enables to visualize , diagnose and prognose the treatment outcome of the impacted teeth. This case report discusses the value of cone beam computerized tomography (CBCT) for evaluation of the critical parameters like bone thickness , tooth position and tooth morphology of multiple impacted teeth by 3 dimensional radiography – CBCT. In this report, we present a case of 27-year-old male patient with multiple missing teeth. Radiographs revealed multiple impacted permanent teeth, though medical and family history along with physical examination was not suggestive of any syndromes. Intraoral periapical radiograph, Orthopantomograph, Occlusal radiograph, Cone beam computed tomography were taken for the same patient to determine the exact position of multiple impacted teeth and prognose the treatment plan with the associated factors to impacted teeth. Cone beam computed tomography is an accurate modality to localize and determine the prognosing factors associated with multiple impacted teeth. Three-dimensional volumetric imaging might provide information for improved diagnosis and treatment plans, and ultimately result in more successful treatment outcomes and better care for patients. How to cite this article: Gopinath A, Reddy NA, Rohra MG. 3 Dimensional Diagnosis Unravelling Prognosis of Multiple Impacted Teeth – A Case Report. J Int Oral Health 2013; 5(4):78-83. PMID:24155625

  20. Los Alamos CCS (Center for Computer Security) formal computer security model

    SciTech Connect

    Dreicer, J.S.; Hunteman, W.J. )

    1989-01-01

    This paper provides a brief presentation of the formal computer security model currently being developed at the Los Alamos Department of Energy (DOE) Center for Computer Security (CCS). The initial motivation for this effort was the need to provide a method by which DOE computer security policy implementation could be tested and verified. The actual analytical model was a result of the integration of current research in computer security and previous modeling and research experiences. The model is being developed to define a generic view of the computer and network security domains, to provide a theoretical basis for the design of a security model, and to address the limitations of present models. Formal mathematical models for computer security have been designed and developed in conjunction with attempts to build secure computer systems since the early 70's. The foundation of the Los Alamos DOE CCS model is a series of functionally dependent probability equations, relations, and expressions. The mathematical basis appears to be justified and is undergoing continued discrimination and evolution. We expect to apply the model to the discipline of the Bell-Lapadula abstract sets of objects and subjects. 5 refs.

  1. Integrated Multiscale Modeling of Molecular Computing Devices

    SciTech Connect

    Jerzy Bernholc

    2011-02-03

    will some day reach a miniaturization limit, forcing designers of Si-based electronics to pursue increased performance by other means. Any other alternative approach would have the unenviable task of matching the ability of Si technology to pack more than a billion interconnected and addressable devices on a chip the size of a thumbnail. Nevertheless, the prospects of developing alternative approaches to fabricate electronic devices have spurred an ever-increasing pace of fundamental research. One of the promising possibilities is molecular electronics (ME), self-assembled molecular-based electronic systems composed of single-molecule devices in ultra dense, ultra fast molecular-sized components. This project focused on developing accurate, reliable theoretical modeling capabilities for describing molecular electronics devices. The participants in the project are given in Table 1. The primary outcomes of this fundamental computational science grant are publications in the open scientific literature. As listed below, 62 papers have been published from this project. In addition, the research has also been the subject of more than 100 invited talks at conferences, including several plenary or keynote lectures. Many of the goals of the original proposal were completed. Specifically, the multi-disciplinary group developed a unique set of capabilities and tools for investigating electron transport in fabricated and self-assembled nanostructures at multiple length and time scales.

  2. Simulating complex intracellular processes using object-oriented computational modelling.

    PubMed

    Johnson, Colin G; Goldman, Jacki P; Gullick, William J

    2004-11-01

    The aim of this paper is to give an overview of computer modelling and simulation in cellular biology, in particular as applied to complex biochemical processes within the cell. This is illustrated by the use of the techniques of object-oriented modelling, where the computer is used to construct abstractions of objects in the domain being modelled, and these objects then interact within the computer to simulate the system and allow emergent properties to be observed. The paper also discusses the role of computer simulation in understanding complexity in biological systems, and the kinds of information which can be obtained about biology via simulation. PMID:15302205

  3. PC BEEPOP - A PERSONAL COMPUTER HONEY BEE POPULATION DYNAMICS MODEL

    EPA Science Inventory

    PC BEEPOP is a computer model that simulates honey bee (Apis mellifera L.) colony population dynamics. he model consists of a system of interdependent elements, including colony condition, environmental variability, colony energetics, and contaminant exposure. t includes a mortal...

  4. Computer Center: BASIC String Models of Genetic Information Transfer.

    ERIC Educational Resources Information Center

    Spain, James D., Ed.

    1984-01-01

    Discusses some of the major genetic information processes which may be modeled by computer program string manipulation, focusing on replication and transcription. Also discusses instructional applications of using string models. (JN)

  5. Phase transitions in a 3 dimensional lattice loop gas

    NASA Astrophysics Data System (ADS)

    MacKenzie, Richard; Nebia-Rahal, F.; Paranjape, M. B.

    2010-06-01

    We investigate, via Monte Carlo simulations, the phase structure of a system of closed, nonintersecting but otherwise noninteracting, loops in 3 Euclidean dimensions. The loops correspond to closed trajectories of massive particles and we find a phase transition as a function of their mass. We identify the order parameter as the average length of the loops at equilibrium. This order parameter exhibits a sharp increase as the mass is decreased through a critical value, the behavior seems to be a crossover transition. We believe that the model represents an effective description of the broken-symmetry sector of the 2+1 dimensional Abelian Higgs model, in the extreme strong coupling limit. The massive gauge bosons and the neutral scalars are decoupled, and the relevant low-lying excitations correspond to vortices and antivortices. The functional integral can be approximated by a sum over simple, closed vortex loop configurations. We present a novel fashion to generate nonintersecting closed loops, starting from a tetrahedral tessellation of three space. The two phases that we find admit the following interpretation: the usual Higgs phase and a novel phase which is heralded by the appearance of effectively infinitely long loops. We compute the expectation value of the Wilson loop operator and that of the Polyakov loop operator. The Wilson loop exhibits perimeter law behavior in both phases implying that the transition corresponds neither to the restoration of symmetry nor to confinement. The effective interaction between external charges is screened in both phases, however there is a dramatic increase in the polarization cloud in the novel phase as shown by the energy shift introduced by the Wilson loop.

  6. On the capabilities and computational costs of neuron models.

    PubMed

    Skocik, Michael J; Long, Lyle N

    2014-08-01

    We review the Hodgkin-Huxley, Izhikevich, and leaky integrate-and-fire neuron models in regular spiking modes solved with the forward Euler, fourth-order Runge-Kutta, and exponential Euler methods and determine the necessary time steps and corresponding computational costs required to make the solutions accurate. We conclude that the leaky integrate-and-fire needs the least number of computations, and that the Hodgkin-Huxley and Izhikevich models are comparable in computational cost. PMID:25050945

  7. Overview of ASC Capability Computing System Governance Model

    SciTech Connect

    Doebling, Scott W.

    2012-07-11

    This document contains a description of the Advanced Simulation and Computing Program's Capability Computing System Governance Model. Objectives of the Governance Model are to ensure that the capability system resources are allocated on a priority-driven basis according to the Program requirements; and to utilize ASC Capability Systems for the large capability jobs for which they were designed and procured.

  8. Computer Simulation Models of Economic Systems in Higher Education.

    ERIC Educational Resources Information Center

    Smith, Lester Sanford

    The increasing complexity of educational operations make analytical tools, such as computer simulation models, especially desirable for educational administrators. This MA thesis examined the feasibility of developing computer simulation models of economic systems in higher education to assist decision makers in allocating resources. The report…

  9. Computers, Modeling and Management Education. Technical Report No. 6.

    ERIC Educational Resources Information Center

    Bonini, Charles P.

    The report begins with a brief examination of the role of computer modeling in management decision-making. Then, some of the difficulties of implementing computer modeling are examined, and finally, the educational implications of these issues are raised, and a comparison is made between what is currently being done and what might be done to…

  10. A Model for Guiding Undergraduates to Success in Computational Science

    ERIC Educational Resources Information Center

    Olagunju, Amos O.; Fisher, Paul; Adeyeye, John

    2007-01-01

    This paper presents a model for guiding undergraduates to success in computational science. A set of integrated, interdisciplinary training and research activities is outlined for use as a vehicle to increase and produce graduates with research experiences in computational and mathematical sciences. The model is responsive to the development of…

  11. Using Computational Simulations to Confront Students' Mental Models

    ERIC Educational Resources Information Center

    Rodrigues, R.; Carvalho, P. Simeão

    2014-01-01

    In this paper we show an example of how to use a computational simulation to obtain visual feedback for students' mental models, and compare their predictions with the simulated system's behaviour. Additionally, we use the computational simulation to incrementally modify the students' mental models in order to accommodate new data,…

  12. World Knowledge in Computational Models of Discourse Comprehension

    ERIC Educational Resources Information Center

    Frank, Stefan L.; Koppen, Mathieu; Noordman, Leo G. M.; Vonk, Wietske

    2008-01-01

    Because higher level cognitive processes generally involve the use of world knowledge, computational models of these processes require the implementation of a knowledge base. This article identifies and discusses 4 strategies for dealing with world knowledge in computational models: disregarding world knowledge, "ad hoc" selection, extraction from…

  13. 40 CFR 194.23 - Models and computer codes.

    Code of Federal Regulations, 2012 CFR

    2012-07-01

    ... COMPLIANCE WITH THE 40 CFR PART 191 DISPOSAL REGULATIONS Compliance Certification and Re-certification General Requirements § 194.23 Models and computer codes. (a) Any compliance application shall include: (1... 40 Protection of Environment 26 2012-07-01 2011-07-01 true Models and computer codes....

  14. 40 CFR 194.23 - Models and computer codes.

    Code of Federal Regulations, 2011 CFR

    2011-07-01

    ... COMPLIANCE WITH THE 40 CFR PART 191 DISPOSAL REGULATIONS Compliance Certification and Re-certification General Requirements § 194.23 Models and computer codes. (a) Any compliance application shall include: (1... 40 Protection of Environment 25 2011-07-01 2011-07-01 false Models and computer codes....

  15. 40 CFR 194.23 - Models and computer codes.

    Code of Federal Regulations, 2013 CFR

    2013-07-01

    ... COMPLIANCE WITH THE 40 CFR PART 191 DISPOSAL REGULATIONS Compliance Certification and Re-certification General Requirements § 194.23 Models and computer codes. (a) Any compliance application shall include: (1... 40 Protection of Environment 26 2013-07-01 2013-07-01 false Models and computer codes....

  16. 40 CFR 194.23 - Models and computer codes.

    Code of Federal Regulations, 2010 CFR

    2010-07-01

    ... COMPLIANCE WITH THE 40 CFR PART 191 DISPOSAL REGULATIONS Compliance Certification and Re-certification General Requirements § 194.23 Models and computer codes. (a) Any compliance application shall include: (1... 40 Protection of Environment 24 2010-07-01 2010-07-01 false Models and computer codes....

  17. 40 CFR 194.23 - Models and computer codes.

    Code of Federal Regulations, 2014 CFR

    2014-07-01

    ... COMPLIANCE WITH THE 40 CFR PART 191 DISPOSAL REGULATIONS Compliance Certification and Re-certification General Requirements § 194.23 Models and computer codes. (a) Any compliance application shall include: (1... 40 Protection of Environment 25 2014-07-01 2014-07-01 false Models and computer codes....

  18. Computational Modeling for Language Acquisition: A Tutorial with Syntactic Islands

    ERIC Educational Resources Information Center

    Pearl, Lisa S.; Sprouse, Jon

    2015-01-01

    Purpose: Given the growing prominence of computational modeling in the acquisition research community, we present a tutorial on how to use computational modeling to investigate learning strategies that underlie the acquisition process. This is useful for understanding both typical and atypical linguistic development. Method: We provide a general…

  19. Generate rigorous pyrolysis models for olefins production by computer

    SciTech Connect

    Klein, M.T.; Broadbelt, L.J.; Grittman, D.H.

    1997-04-01

    With recent advances in the automation of the model-building process for large networks of kinetic equations, it may become feasible to generate computer pyrolysis models for naphthas and gas oil feedstocks. The potential benefit of a rigorous mechanistic model for these relatively complex liquid feedstocks is great, due to diverse characterizations and yield spectrums. An ethane pyrolysis example is used to illustrate the computer generation of reaction mechanism models.

  20. Ambient temperature modelling with soft computing techniques

    SciTech Connect

    Bertini, Ilaria; Ceravolo, Francesco; Citterio, Marco; Di Pietra, Biagio; Margiotta, Francesca; Pizzuti, Stefano; Puglisi, Giovanni; De Felice, Matteo

    2010-07-15

    This paper proposes a hybrid approach based on soft computing techniques in order to estimate monthly and daily ambient temperature. Indeed, we combine the back-propagation (BP) algorithm and the simple Genetic Algorithm (GA) in order to effectively train artificial neural networks (ANN) in such a way that the BP algorithm initialises a few individuals of the GA's population. Experiments concerned monthly temperature estimation of unknown places and daily temperature estimation for thermal load computation. Results have shown remarkable improvements in accuracy compared to traditional methods. (author)

  1. A computational model of the human hand 93-ERI-053

    SciTech Connect

    Hollerbach, K.; Axelrod, T.

    1996-03-01

    The objectives of the Computational Hand Modeling project were to prove the feasibility of the Laboratory`s NIKE3D finite element code to orthopaedic problems. Because of the great complexity of anatomical structures and the nonlinearity of their behavior, we have focused on a subset of joints of the hand and lower extremity and have developed algorithms to model their behavior. The algorithms developed here solve fundamental problems in computational biomechanics and can be expanded to describe any other joints of the human body. This kind of computational modeling has never successfully been attempted before, due in part to a lack of biomaterials data and a lack of computational resources. With the computational resources available at the National Laboratories and the collaborative relationships we have established with experimental and other modeling laboratories, we have been in a position to pursue our innovative approach to biomechanical and orthopedic modeling.

  2. Computer Modeling and Research in the Classroom

    ERIC Educational Resources Information Center

    Ramos, Maria Joao; Fernandes, Pedro Alexandrino

    2005-01-01

    We report on a computational chemistry course for undergraduate students that successfully incorporated a research project on the design of new contrast agents for magnetic resonance imaging and shift reagents for in vivo NMR. Course outcomes were positive: students were quite motivated during the whole year--they learned what was required of…

  3. Computational and mathematical models of microstructural evolution

    SciTech Connect

    Bullard, J.W.; Chen, L.Q.; Kalia, R.K.; Stoneham, A.M.

    1998-12-31

    This symposium was designed to bring together the foremost materials theorists and applied mathematicians from around the world to share and discuss some of the newest and most promising mathematical and computational tools for simulating, understanding, and predicting the various complex processes that occur during the evolution of microstructures. Separate abstracts were prepared for 25 papers.

  4. Tracking Error analysis of Concentrator Photovoltaic Module Using Total 3-Dimensional Simulator

    NASA Astrophysics Data System (ADS)

    Ota, Yasuyuki; Nishioka, Kensuke

    2011-12-01

    A 3-dimensional (3D) operating simulator for concentrator photovoltaic (CPV) module using triple-junction solar cell was developed. By connecting 3D equivalent circuit simulation for triple-junction solar cell and ray-trace simulation for optics model, the operating characteristics of CPV module were calculated. A typical flat Fresnel lens and homogenizer were adapted to the optics model. The influence of tracking error on the performance of CPV module was calculated. There was the correlation between the optical efficiency and Isc. However, Pm was not correlated with these values, and was strongly dependent on FF. We can use this total simulator for the evaluation and optimization from the light incidence to operating characteristic of CPV modules.

  5. Use of 3-Dimensional Printing for Preoperative Planning in the Treatment of Recurrent Anterior Shoulder Instability

    PubMed Central

    Sheth, Ujash; Theodoropoulos, John; Abouali, Jihad

    2015-01-01

    Recurrent anterior shoulder instability often results from large bony Bankart or Hill-Sachs lesions. Preoperative imaging is essential in guiding our surgical management of patients with these conditions. However, we are often limited to making an attempt to interpret a 3-dimensional (3D) structure using conventional 2-dimensional imaging. In cases in which complex anatomy or bony defects are encountered, this type of imaging is often inadequate. We used 3D printing to produce a solid 3D model of a glenohumeral joint from a young patient with recurrent anterior shoulder instability and complex Bankart and Hill-Sachs lesions. The 3D model from our patient was used in the preoperative planning stages of an arthroscopic Bankart repair and remplissage to determine the depth of the Hill-Sachs lesion and the degree of abduction and external rotation at which the Hill-Sachs lesion engaged. PMID:26759768

  6. Computer modeling of ORNL storage tank sludge mobilization and mixing

    SciTech Connect

    Terrones, G.; Eyler, L.L.

    1993-09-01

    This report presents and analyzes the results of the computer modeling of mixing and mobilization of sludge in horizontal, cylindrical storage tanks using submerged liquid jets. The computer modeling uses the TEMPEST computational fluid dynamics computer program. The horizontal, cylindrical storage tank configuration is similar to the Melton Valley Storage Tanks (MVST) at Oak Ridge National (ORNL). The MVST tank contents exhibit non-homogeneous, non-Newtonian rheology characteristics. The eventual goals of the simulations are to determine under what conditions sludge mobilization using submerged liquid jets is feasible in tanks of this configuration, and to estimate mixing times required to approach homogeneity of the contents of the tanks.

  7. Operation of the computer model for microenvironment atomic oxygen exposure

    NASA Technical Reports Server (NTRS)

    Bourassa, R. J.; Gillis, J. R.; Gruenbaum, P. E.

    1995-01-01

    A computer model for microenvironment atomic oxygen exposure has been developed to extend atomic oxygen modeling capability to include shadowing and reflections. The model uses average exposure conditions established by the direct exposure model and extends the application of these conditions to treat surfaces of arbitrary shape and orientation.

  8. A stirling engine computer model for performance calculations

    NASA Technical Reports Server (NTRS)

    Tew, R.; Jefferies, K.; Miao, D.

    1978-01-01

    To support the development of the Stirling engine as a possible alternative to the automobile spark-ignition engine, the thermodynamic characteristics of the Stirling engine were analyzed and modeled on a computer. The modeling techniques used are presented. The performance of an existing rhombic-drive Stirling engine was simulated by use of this computer program, and some typical results are presented. Engine tests are planned in order to evaluate this model.

  9. Computational neurorehabilitation: modeling plasticity and learning to predict recovery.

    PubMed

    Reinkensmeyer, David J; Burdet, Etienne; Casadio, Maura; Krakauer, John W; Kwakkel, Gert; Lang, Catherine E; Swinnen, Stephan P; Ward, Nick S; Schweighofer, Nicolas

    2016-01-01

    Despite progress in using computational approaches to inform medicine and neuroscience in the last 30 years, there have been few attempts to model the mechanisms underlying sensorimotor rehabilitation. We argue that a fundamental understanding of neurologic recovery, and as a result accurate predictions at the individual level, will be facilitated by developing computational models of the salient neural processes, including plasticity and learning systems of the brain, and integrating them into a context specific to rehabilitation. Here, we therefore discuss Computational Neurorehabilitation, a newly emerging field aimed at modeling plasticity and motor learning to understand and improve movement recovery of individuals with neurologic impairment. We first explain how the emergence of robotics and wearable sensors for rehabilitation is providing data that make development and testing of such models increasingly feasible. We then review key aspects of plasticity and motor learning that such models will incorporate. We proceed by discussing how computational neurorehabilitation models relate to the current benchmark in rehabilitation modeling - regression-based, prognostic modeling. We then critically discuss the first computational neurorehabilitation models, which have primarily focused on modeling rehabilitation of the upper extremity after stroke, and show how even simple models have produced novel ideas for future investigation. Finally, we conclude with key directions for future research, anticipating that soon we will see the emergence of mechanistic models of motor recovery that are informed by clinical imaging results and driven by the actual movement content of rehabilitation therapy as well as wearable sensor-based records of daily activity. PMID:27130577

  10. Ku-Band rendezvous radar performance computer simulation model

    NASA Technical Reports Server (NTRS)

    Magnusson, H. G.; Goff, M. F.

    1984-01-01

    All work performed on the Ku-band rendezvous radar performance computer simulation model program since the release of the preliminary final report is summarized. Developments on the program fall into three distinct categories: (1) modifications to the existing Ku-band radar tracking performance computer model; (2) the addition of a highly accurate, nonrealtime search and acquisition performance computer model to the total software package developed on this program; and (3) development of radar cross section (RCS) computation models for three additional satellites. All changes in the tracking model involved improvements in the automatic gain control (AGC) and the radar signal strength (RSS) computer models. Although the search and acquisition computer models were developed under the auspices of the Hughes Aircraft Company Ku-Band Integrated Radar and Communications Subsystem program office, they have been supplied to NASA as part of the Ku-band radar performance comuter model package. Their purpose is to predict Ku-band acquisition performance for specific satellite targets on specific missions. The RCS models were developed for three satellites: the Long Duration Exposure Facility (LDEF) spacecraft, the Solar Maximum Mission (SMM) spacecraft, and the Space Telescopes.

  11. Computational Modeling of NEXT 2000-Hour Wear Test Results

    NASA Technical Reports Server (NTRS)

    Malone, Shane P.

    2004-01-01

    Ion optics computational models are invaluable tools for the design of ion optics systems. In this study, a new computational model developed by an outside vendor for NASA Glenn Research Center (GRC) is presented. This model is a gun code which has been modified to model the plasma sheaths both upstream and downstream of the ion optics. The model handles multiple species (e.g. singly and doubly-charged ions) and includes a charge-exchange model for erosion estimates. The model uses commercially available solid design and meshing software, allowing high flexibility in ion optics geometric configurations. This computational model is compared to experimental results from the NASA Evolutionary Xenon Thruster (NEXT) 2000-hour wear test, including over-focusing along the edge apertures, pit-and-groove erosion due to charge exchange, and beamlet distortion at the edge of the hole pattern.

  12. Transient upset models in computer systems

    NASA Technical Reports Server (NTRS)

    Mason, G. M.

    1983-01-01

    Essential factors for the design of transient upset monitors for computers are discussed. The upset is a system level event that is software dependent. It can occur in the program flow, the opcode set, the opcode address domain, the read address domain, and the write address domain. Most upsets are in the program flow. It is shown that simple, external monitors functioning transparently relative to the system operations can be built if a detailed accounting is made of the characteristics of the faults that can happen. Sample applications are provided for different states of the Z-80 and 8085 based system.

  13. Computational Electromagnetic Modeling of SansEC(Trade Mark) Sensors

    NASA Technical Reports Server (NTRS)

    Smith, Laura J.; Dudley, Kenneth L.; Szatkowski, George N.

    2011-01-01

    This paper describes the preliminary effort to apply computational design tools to aid in the development of an electromagnetic SansEC resonant sensor composite materials damage detection system. The computational methods and models employed on this research problem will evolve in complexity over time and will lead to the development of new computational methods and experimental sensor systems that demonstrate the capability to detect, diagnose, and monitor the damage of composite materials and structures on aerospace vehicles.

  14. Recent developments in multiphysics computational models of physiological flows

    NASA Astrophysics Data System (ADS)

    Eldredge, Jeff D.; Mittal, Rajat

    2016-04-01

    A mini-symposium on computational modeling of fluid-structure interactions and other multiphysics in physiological flows was held at the 11th World Congress on Computational Mechanics in July 2014 in Barcelona, Spain. This special issue of Theoretical and Computational Fluid Dynamics contains papers from among the participants of the mini-symposium. The present paper provides an overview of the mini-symposium and the special issue.

  15. Cancer Evolution: Mathematical Models and Computational Inference

    PubMed Central

    Beerenwinkel, Niko; Schwarz, Roland F.; Gerstung, Moritz; Markowetz, Florian

    2015-01-01

    Cancer is a somatic evolutionary process characterized by the accumulation of mutations, which contribute to tumor growth, clinical progression, immune escape, and drug resistance development. Evolutionary theory can be used to analyze the dynamics of tumor cell populations and to make inference about the evolutionary history of a tumor from molecular data. We review recent approaches to modeling the evolution of cancer, including population dynamics models of tumor initiation and progression, phylogenetic methods to model the evolutionary relationship between tumor subclones, and probabilistic graphical models to describe dependencies among mutations. Evolutionary modeling helps to understand how tumors arise and will also play an increasingly important prognostic role in predicting disease progression and the outcome of medical interventions, such as targeted therapy. PMID:25293804

  16. Multiscale Modeling in Computational Biomechanics: Determining Computational Priorities and Addressing Current Challenges

    SciTech Connect

    Tawhai, Merryn; Bischoff, Jeff; Einstein, Daniel R.; Erdemir, Ahmet; Guess, Trent; Reinbolt, Jeff

    2009-05-01

    Abstract In this article, we describe some current multiscale modeling issues in computational biomechanics from the perspective of the musculoskeletal and respiratory systems and mechanotransduction. First, we outline the necessity of multiscale simulations in these biological systems. Then we summarize challenges inherent to multiscale biomechanics modeling, regardless of the subdiscipline, followed by computational challenges that are system-specific. We discuss some of the current tools that have been utilized to aid research in multiscale mechanics simulations, and the priorities to further the field of multiscale biomechanics computation.

  17. Three-dimensional cardiac computational modelling: methods, features and applications.

    PubMed

    Lopez-Perez, Alejandro; Sebastian, Rafael; Ferrero, Jose M

    2015-01-01

    The combination of computational models and biophysical simulations can help to interpret an array of experimental data and contribute to the understanding, diagnosis and treatment of complex diseases such as cardiac arrhythmias. For this reason, three-dimensional (3D) cardiac computational modelling is currently a rising field of research. The advance of medical imaging technology over the last decades has allowed the evolution from generic to patient-specific 3D cardiac models that faithfully represent the anatomy and different cardiac features of a given alive subject. Here we analyse sixty representative 3D cardiac computational models developed and published during the last fifty years, describing their information sources, features, development methods and online availability. This paper also reviews the necessary components to build a 3D computational model of the heart aimed at biophysical simulation, paying especial attention to cardiac electrophysiology (EP), and the existing approaches to incorporate those components. We assess the challenges associated to the different steps of the building process, from the processing of raw clinical or biological data to the final application, including image segmentation, inclusion of substructures and meshing among others. We briefly outline the personalisation approaches that are currently available in 3D cardiac computational modelling. Finally, we present examples of several specific applications, mainly related to cardiac EP simulation and model-based image analysis, showing the potential usefulness of 3D cardiac computational modelling into clinical environments as a tool to aid in the prevention, diagnosis and treatment of cardiac diseases. PMID:25928297

  18. Computational model for Halorhodopsin photocurrent kinetics

    NASA Astrophysics Data System (ADS)

    Bravo, Jaime; Stefanescu, Roxana; Talathi, Sachin

    2013-03-01

    Optogenetics is a rapidly developing novel optical stimulation technique that employs light activated ion channels to excite (using channelrhodopsin (ChR)) or suppress (using halorhodopsin (HR)) impulse activity in neurons with high temporal and spatial resolution. This technique holds enormous potential to externally control activity states in neuronal networks. The channel kinetics of ChR and HR are well understood and amenable for mathematical modeling. Significant progress has been made in recent years to develop models for ChR channel kinetics. To date however, there is no model to mimic photocurrents produced by HR. Here, we report the first model developed for HR photocurrents based on a four-state model of the HR photocurrent kinetics. The model provides an excellent fit (root-mean-square error of 3.1862x10-4, to an empirical profile of experimentally measured HR photocurrents. In combination, mathematical models for ChR and HR photocurrents can provide effective means to design test light based control systems to regulate neural activity, which in turn may have implications for the development of novel light based stimulation paradigms for brain disease control. I would like to thank the University of Florida and the Physics Research Experience for Undergraduates (REU) program, funded through NSF DMR-1156737. This research was also supported through start-up funds provided to Dr. Sachin Talathi

  19. Advances in Computationally Modeling Human Oral Bioavailability

    PubMed Central

    Wang, Junmei; Hou, Tingjun

    2015-01-01

    Although significant progress has been made in experimental high throughput screening (HTS) of ADME (absorption, distribution, metabolism, excretion) and pharmacokinetic properties, the ADME and Toxicity (ADME-Tox) in silico modeling is still indispensable in drug discovery as it can guide us to wisely select drug candidates prior to expensive ADME screenings and clinical trials. Compared to other ADME-Tox properties, human oral bioavailability (HOBA) is particularly important but extremely difficult to predict. In this paper, the advances in human oral bioavailability modeling will be reviewed. Moreover, our deep insight on how to construct more accurate and reliable HOBA QSAR and classification models will also discussed. PMID:25582307

  20. Advances in computationally modeling human oral bioavailability.

    PubMed

    Wang, Junmei; Hou, Tingjun

    2015-06-23

    Although significant progress has been made in experimental high throughput screening (HTS) of ADME (absorption, distribution, metabolism, excretion) and pharmacokinetic properties, the ADME and Toxicity (ADME-Tox) in silico modeling is still indispensable in drug discovery as it can guide us to wisely select drug candidates prior to expensive ADME screenings and clinical trials. Compared to other ADME-Tox properties, human oral bioavailability (HOBA) is particularly important but extremely difficult to predict. In this paper, the advances in human oral bioavailability modeling will be reviewed. Moreover, our deep insight on how to construct more accurate and reliable HOBA QSAR and classification models will also discussed. PMID:25582307

  1. Several Computational Opportunities and Challenges Associated with Climate Change Modeling

    SciTech Connect

    Wang, Dali; Post, Wilfred M; Wilson, Bruce E

    2010-01-01

    One of the key factors in the improved understanding of climate science is the development and improvement of high fidelity climate models. These models are critical for projections of future climate scenarios, as well as for highlighting the areas where further measurement and experimentation are needed for knowledge improvement. In this paper, we focus on several computing issues associated with climate change modeling. First, we review a fully coupled global simulation and a nested regional climate model to demonstrate key design components, and then we explain the underlying restrictions associated with the temporal and spatial scale for climate change modeling. We then discuss the role of high-end computers in climate change sciences. Finally, we explain the importance of fostering regional, integrated climate impact analysis. Although we discuss the computational challenges associated with climate change modeling, and we hope those considerations can also be beneficial to many other modeling research programs involving multiscale system dynamics.

  2. A computationally tractable version of the collective model

    NASA Astrophysics Data System (ADS)

    Rowe, D. J.

    2004-05-01

    A computationally tractable version of the Bohr-Mottelson collective model is presented which makes it possible to diagonalize realistic collective models and obtain convergent results in relatively small appropriately chosen subspaces of the collective model Hilbert space. Special features of the proposed model are that it makes use of the beta wave functions given analytically by the softened-beta version of the Wilets-Jean model, proposed by Elliott et al., and a simple algorithm for computing SO(5)⊃SO(3) spherical harmonics. The latter has much in common with the methods of Chacon, Moshinsky, and Sharp but is conceptually and computationally simpler. Results are presented for collective models ranging from the spherical vibrator to the Wilets-Jean and axially symmetric rotor-vibrator models.

  3. Utilizing Cloud Computing to Improve Climate Modeling and Studies

    NASA Astrophysics Data System (ADS)

    Li, Z.; Yang, C.; Liu, K.; Sun, M.; XIA, J.; Huang, Q.

    2013-12-01

    Climate studies have become increasingly important due to the global climate change, one of the biggest challenges for the human in the 21st century. Climate data, not only observations data collected from various sensors but also simulated data generated from diverse climate models, are essential for scientists to explore the potential climate change patterns and analyze the complex climate dynamics. Climate modeling and simulation, a critical methodology for simulating the past and predicting the future climate conditions, can produce huge amount of data that contains potentially valuable information for climate studies. However, using modeling method in climate studies poses at least two challenges for scientists. First, running climate models is a computing intensive process, which requires large amounts of computation resources. Second, running climate models is also a data intensive process generating Big geospatial Data (model output), which demands large storage for managing the data and large computing power to process and analyze these data. This presentation introduces a novel framework to tackle the two challenges by 1) running climate models in a cloud environment in an automated fashion, and 2) managing and parallel processing Big model output Data by leveraging cloud computing technologies. A prototype system is developed based on the framework using ModelE as the climate model. Experiment results show that this framework can improve climate modeling in the research cycle by accelerating big data generation (model simulation), big data management (storage and processing) and on demand big data analytics.

  4. A model for computing at the SSC (Superconducting Super Collider)

    SciTech Connect

    Baden, D. . Dept. of Physics); Grossman, R. . Lab. for Advanced Computing)

    1990-06-01

    High energy physics experiments at the Superconducting Super Collider (SSC) will show a substantial increase in complexity and cost over existing forefront experiments, and computing needs may no longer be met via simple extrapolations from the previous experiments. We propose a model for computing at the SSC based on technologies common in private industry involving both hardware and software. 11 refs., 1 fig.

  5. Predictive Computational Modeling of Chromatin Folding

    NASA Astrophysics Data System (ADS)

    di Pierro, Miichele; Zhang, Bin; Wolynes, Peter J.; Onuchic, Jose N.

    In vivo, the human genome folds into well-determined and conserved three-dimensional structures. The mechanism driving the folding process remains unknown. We report a theoretical model (MiChroM) for chromatin derived by using the maximum entropy principle. The proposed model allows Molecular Dynamics simulations of the genome using as input the classification of loci into chromatin types and the presence of binding sites of loop forming protein CTCF. The model was trained to reproduce the Hi-C map of chromosome 10 of human lymphoblastoid cells. With no additional tuning the model was able to predict accurately the Hi-C maps of chromosomes 1-22 for the same cell line. Simulations show unknotted chromosomes, phase separation of chromatin types and a preference of chromatin of type A to sit at the periphery of the chromosomes.

  6. Predictive Models and Computational Toxicology (II IBAMTOX)

    EPA Science Inventory

    EPA’s ‘virtual embryo’ project is building an integrative systems biology framework for predictive models of developmental toxicity. One schema involves a knowledge-driven adverse outcome pathway (AOP) framework utilizing information from public databases, standardized ontologies...

  7. Computational Modeling of Healthy Myocardium in Diastole.

    PubMed

    Nikou, Amir; Dorsey, Shauna M; McGarvey, Jeremy R; Gorman, Joseph H; Burdick, Jason A; Pilla, James J; Gorman, Robert C; Wenk, Jonathan F

    2016-04-01

    In order to better understand the mechanics of the heart and its disorders, engineers increasingly make use of the finite element method (FEM) to investigate healthy and diseased cardiac tissue. However, FEM is only as good as the underlying constitutive model, which remains a major challenge to the biomechanics community. In this study, a recently developed structurally based constitutive model was implemented to model healthy left ventricular myocardium during passive diastolic filling. This model takes into account the orthotropic response of the heart under loading. In-vivo strains were measured from magnetic resonance images (MRI) of porcine hearts, along with synchronous catheterization pressure data, and used for parameter identification of the passive constitutive model. Optimization was performed by minimizing the difference between MRI measured and FE predicted strains and cavity volumes. A similar approach was followed for the parameter identification of a widely used phenomenological constitutive law, which is based on a transversely isotropic material response. Results indicate that the parameter identification with the structurally based constitutive law is more sensitive to the assigned fiber architecture and the fit between the measured and predicted strains is improved with more realistic sheet angles. In addition, the structurally based model is capable of generating a more physiological end-diastolic pressure-volume relationship in the ventricle. PMID:26215308

  8. Enhanced absorption cycle computer model. Final report

    SciTech Connect

    Grossman, G.; Wilk, M.

    1993-09-01

    Absorption heat pumps have received renewed and increasing attention in the past two decades. The rising cost of electricity has made the particular features of this heat-powered cycle attractive for both residential and industrial applications. Solar-powered absorption chillers, gas-fired domestic heat pumps, and waste-heat-powered industrial temperatures boosters are a few of the applications recently subjected to intensive research and development. The absorption heat pump research community has begun to search for both advanced cycles in various multistage configurations and new working fluid combinations with potential for enhanced performance and reliability. The development of working absorptions systems has created a need for reliable and effective system simulations. A computer code has been developed for simulation of absorption systems at steady state in a flexible and modular form, making it possible to investigate various cycle configurations with different working fluids. The code is based on unit subroutines containing the governing equations for the system`s components and property subroutines containing thermodynamic properties of the working fluids. The user conveys to the computer an image of his cycle by specifying the different subunits and their interconnections. Based on this information, the program calculates the temperature, flow rate, concentration, pressure, and vapor fraction at each state point in the system, and the heat duty at each unit, from which the coefficient of performance (COP) may be determined. This report describes the code and its operation, including improvements introduced into the present version. Simulation results are described for LiBr-H{sub 2}O triple-effect cycles, LiCl-H{sub 2}O solar-powered open absorption cycles, and NH{sub 3}-H{sub 2}O single-effect and generator-absorber heat exchange cycles. An appendix contains the User`s Manual.

  9. Real-time Interpolation for True 3-Dimensional Ultrasound Image Volumes

    PubMed Central

    Ji, Songbai; Roberts, David W.; Hartov, Alex; Paulsen, Keith D.

    2013-01-01

    We compared trilinear interpolation to voxel nearest neighbor and distance-weighted algorithms for fast and accurate processing of true 3-dimensional ultrasound (3DUS) image volumes. In this study, the computational efficiency and interpolation accuracy of the 3 methods were compared on the basis of a simulated 3DUS image volume, 34 clinical 3DUS image volumes from 5 patients, and 2 experimental phantom image volumes. We show that trilinear interpolation improves interpolation accuracy over both the voxel nearest neighbor and distance-weighted algorithms yet achieves real-time computational performance that is comparable to the voxel nearest neighbor algrorithm (1–2 orders of magnitude faster than the distance-weighted algorithm) as well as the fastest pixel-based algorithms for processing tracked 2-dimensional ultrasound images (0.035 seconds per 2-dimesional cross-sectional image [76,800 pixels interpolated, or 0.46 ms/1000 pixels] and 1.05 seconds per full volume with a 1-mm3 voxel size [4.6 million voxels interpolated, or 0.23 ms/1000 voxels]). On the basis of these results, trilinear interpolation is recommended as a fast and accurate interpolation method for rectilinear sampling of 3DUS image acquisitions, which is required to facilitate subsequent processing and display during operating room procedures such as image-guided neurosurgery. PMID:21266563

  10. COMPUTATION MODELING OF TCDD DISRUPTION OF B CELL TERMINAL DIFFERENTIATION

    EPA Science Inventory

    In this study, we established a computational model describing the molecular circuit underlying B cell terminal differentiation and how TCDD may affect this process by impinging upon various molecular targets.

  11. Reduced-Order Modeling: New Approaches for Computational Physics

    NASA Technical Reports Server (NTRS)

    Beran, Philip S.; Silva, Walter A.

    2001-01-01

    In this paper, we review the development of new reduced-order modeling techniques and discuss their applicability to various problems in computational physics. Emphasis is given to methods ba'sed on Volterra series representations and the proper orthogonal decomposition. Results are reported for different nonlinear systems to provide clear examples of the construction and use of reduced-order models, particularly in the multi-disciplinary field of computational aeroelasticity. Unsteady aerodynamic and aeroelastic behaviors of two- dimensional and three-dimensional geometries are described. Large increases in computational efficiency are obtained through the use of reduced-order models, thereby justifying the initial computational expense of constructing these models and inotivatim,- their use for multi-disciplinary design analysis.

  12. Computer models and output, Spartan REM: Appendix B

    NASA Technical Reports Server (NTRS)

    Marlowe, D. S.; West, E. J.

    1984-01-01

    A computer model of the Spartan Release Engagement Mechanism (REM) is presented in a series of numerical charts and engineering drawings. A crack growth analysis code is used to predict the fracture mechanics of critical components.

  13. Computational Modeling, Formal Analysis, and Tools for Systems Biology

    PubMed Central

    Bartocci, Ezio; Lió, Pietro

    2016-01-01

    As the amount of biological data in the public domain grows, so does the range of modeling and analysis techniques employed in systems biology. In recent years, a number of theoretical computer science developments have enabled modeling methodology to keep pace. The growing interest in systems biology in executable models and their analysis has necessitated the borrowing of terms and methods from computer science, such as formal analysis, model checking, static analysis, and runtime verification. Here, we discuss the most important and exciting computational methods and tools currently available to systems biologists. We believe that a deeper understanding of the concepts and theory highlighted in this review will produce better software practice, improved investigation of complex biological processes, and even new ideas and better feedback into computer science. PMID:26795950

  14. Computer Integrated Manufacturing: Physical Modelling Systems Design. A Personal View.

    ERIC Educational Resources Information Center

    Baker, Richard

    A computer-integrated manufacturing (CIM) Physical Modeling Systems Design project was undertaken in a time of rapid change in the industrial, business, technological, training, and educational areas in Australia. A specification of a manufacturing physical modeling system was drawn up. Physical modeling provides a flexibility and configurability…

  15. Method and apparatus for imaging through 3-dimensional tracking of protons

    NASA Technical Reports Server (NTRS)

    Ryan, James M. (Inventor); Macri, John R. (Inventor); McConnell, Mark L. (Inventor)

    2001-01-01

    A method and apparatus for creating density images of an object through the 3-dimensional tracking of protons that have passed through the object are provided. More specifically, the 3-dimensional tracking of the protons is accomplished by gathering and analyzing images of the ionization tracks of the protons in a closely packed stack of scintillating fibers.

  16. Computational model of miniature pulsating heat pipes.

    SciTech Connect

    Martinez, Mario J.; Givler, Richard C.

    2013-01-01

    The modeling work described herein represents Sandia National Laboratories (SNL) portion of a collaborative three-year project with Northrop Grumman Electronic Systems (NGES) and the University of Missouri to develop an advanced, thermal ground-plane (TGP), which is a device, of planar configuration, that delivers heat from a source to an ambient environment with high efficiency. Work at all three institutions was funded by DARPA/MTO; Sandia was funded under DARPA/MTO project number 015070924. This is the final report on this project for SNL. This report presents a numerical model of a pulsating heat pipe, a device employing a two phase (liquid and its vapor) working fluid confined in a closed loop channel etched/milled into a serpentine configuration in a solid metal plate. The device delivers heat from an evaporator (hot zone) to a condenser (cold zone). This new model includes key physical processes important to the operation of flat plate pulsating heat pipes (e.g. dynamic bubble nucleation, evaporation and condensation), together with conjugate heat transfer with the solid portion of the device. The model qualitatively and quantitatively predicts performance characteristics and metrics, which was demonstrated by favorable comparisons with experimental results on similar configurations. Application of the model also corroborated many previous performance observations with respect to key parameters such as heat load, fill ratio and orientation.

  17. Comprehension of simple quantifiers: empirical evaluation of a computational model.

    PubMed

    Szymanik, Jakub; Zajenkowski, Marcin

    2010-04-01

    We examine the verification of simple quantifiers in natural language from a computational model perspective. We refer to previous neuropsychological investigations of the same problem and suggest extending their experimental setting. Moreover, we give some direct empirical evidence linking computational complexity predictions with cognitive reality. In the empirical study we compare time needed for understanding different types of quantifiers. We show that the computational distinction between quantifiers recognized by finite-automata and push-down automata is psychologically relevant. Our research improves upon, the hypotheses and explanatory power of recent neuroimaging studies as well as provides evidence for the claim that human linguistic abilities are constrained by computational complexity. PMID:21564222

  18. Cogeneration computer model assessment: Advanced cogeneration research study

    NASA Technical Reports Server (NTRS)

    Rosenberg, L.

    1983-01-01

    Cogeneration computer simulation models to recommend the most desirable models or their components for use by the Southern California Edison Company (SCE) in evaluating potential cogeneration projects was assessed. Existing cogeneration modeling capabilities are described, preferred models are identified, and an approach to the development of a code which will best satisfy SCE requirements is recommended. Five models (CELCAP, COGEN 2, CPA, DEUS, and OASIS) are recommended for further consideration.

  19. Computational Models for Mechanics of Morphogenesis

    PubMed Central

    Wyczalkowski, Matthew A.; Chen, Zi; Filas, Benjamen A.; Varner, Victor D.; Taber, Larry A.

    2012-01-01

    In the developing embryo, tissues differentiate, deform, and move in an orchestrated manner to generate various biological shapes driven by the complex interplay between genetic, epigenetic, and environmental factors. Mechanics plays a key role in regulating and controlling morphogenesis, and quantitative models help us understand how various mechanical forces combine to shape the embryo. Models allow for the quantitative, unbiased testing of physical mechanisms, and when used appropriately, can motivate new experimental directions. This knowledge benefits biomedical researchers who aim to prevent and treat congenital malformations, as well as engineers working to create replacement tissues in the laboratory. In this review, we first give an overview of fundamental mechanical theories for morphogenesis, and then focus on models for specific processes, including pattern formation, gastrulation, neurulation, organogenesis, and wound healing. The role of mechanical feedback in development is also discussed. Finally, some perspectives are given on the emerging challenges in morphomechanics and mechanobiology. PMID:22692887

  20. Computational social network modeling of terrorist recruitment.

    SciTech Connect

    Berry, Nina M.; Turnley, Jessica Glicken; Smrcka, Julianne D.; Ko, Teresa H.; Moy, Timothy David; Wu, Benjamin C.

    2004-10-01

    The Seldon terrorist model represents a multi-disciplinary approach to developing organization software for the study of terrorist recruitment and group formation. The need to incorporate aspects of social science added a significant contribution to the vision of the resulting Seldon toolkit. The unique addition of and abstract agent category provided a means for capturing social concepts like cliques, mosque, etc. in a manner that represents their social conceptualization and not simply as a physical or economical institution. This paper provides an overview of the Seldon terrorist model developed to study the formation of cliques, which are used as the major recruitment entity for terrorist organizations.

  1. Computer Models Simulate Fine Particle Dispersion

    NASA Technical Reports Server (NTRS)

    2010-01-01

    Through a NASA Seed Fund partnership with DEM Solutions Inc., of Lebanon, New Hampshire, scientists at Kennedy Space Center refined existing software to study the electrostatic phenomena of granular and bulk materials as they apply to planetary surfaces. The software, EDEM, allows users to import particles and obtain accurate representations of their shapes for modeling purposes, such as simulating bulk solids behavior, and was enhanced to be able to more accurately model fine, abrasive, cohesive particles. These new EDEM capabilities can be applied in many industries unrelated to space exploration and have been adopted by several prominent U.S. companies, including John Deere, Pfizer, and Procter & Gamble.

  2. Probabilistic computer model of optimal runway turnoffs

    NASA Technical Reports Server (NTRS)

    Schoen, M. L.; Preston, O. W.; Summers, L. G.; Nelson, B. A.; Vanderlinden, L.; Mcreynolds, M. C.

    1985-01-01

    Landing delays are currently a problem at major air carrier airports and many forecasters agree that airport congestion will get worse by the end of the century. It is anticipated that some types of delays can be reduced by an efficient optimal runway exist system allowing increased approach volumes necessary at congested airports. A computerized Probabilistic Runway Turnoff Model which locates exits and defines path geometry for a selected maximum occupancy time appropriate for each TERPS aircraft category is defined. The model includes an algorithm for lateral ride comfort limits.

  3. Practical Use of Computationally Frugal Model Analysis Methods.

    PubMed

    Hill, Mary C; Kavetski, Dmitri; Clark, Martyn; Ye, Ming; Arabi, Mazdak; Lu, Dan; Foglia, Laura; Mehl, Steffen

    2016-03-01

    Three challenges compromise the utility of mathematical models of groundwater and other environmental systems: (1) a dizzying array of model analysis methods and metrics make it difficult to compare evaluations of model adequacy, sensitivity, and uncertainty; (2) the high computational demands of many popular model analysis methods (requiring 1000's, 10,000 s, or more model runs) make them difficult to apply to complex models; and (3) many models are plagued by unrealistic nonlinearities arising from the numerical model formulation and implementation. This study proposes a strategy to address these challenges through a careful combination of model analysis and implementation methods. In this strategy, computationally frugal model analysis methods (often requiring a few dozen parallelizable model runs) play a major role, and computationally demanding methods are used for problems where (relatively) inexpensive diagnostics suggest the frugal methods are unreliable. We also argue in favor of detecting and, where possible, eliminating unrealistic model nonlinearities-this increases the realism of the model itself and facilitates the application of frugal methods. Literature examples are used to demonstrate the use of frugal methods and associated diagnostics. We suggest that the strategy proposed in this paper would allow the environmental sciences community to achieve greater transparency and falsifiability of environmental models, and obtain greater scientific insight from ongoing and future modeling efforts. PMID:25810333

  4. Efficiently modeling neural networks on massively parallel computers

    NASA Technical Reports Server (NTRS)

    Farber, Robert M.

    1993-01-01

    Neural networks are a very useful tool for analyzing and modeling complex real world systems. Applying neural network simulations to real world problems generally involves large amounts of data and massive amounts of computation. To efficiently handle the computational requirements of large problems, we have implemented at Los Alamos a highly efficient neural network compiler for serial computers, vector computers, vector parallel computers, and fine grain SIMD computers such as the CM-2 connection machine. This paper describes the mapping used by the compiler to implement feed-forward backpropagation neural networks for a SIMD (Single Instruction Multiple Data) architecture parallel computer. Thinking Machines Corporation has benchmarked our code at 1.3 billion interconnects per second (approximately 3 gigaflops) on a 64,000 processor CM-2 connection machine (Singer 1990). This mapping is applicable to other SIMD computers and can be implemented on MIMD computers such as the CM-5 connection machine. Our mapping has virtually no communications overhead with the exception of the communications required for a global summation across the processors (which has a sub-linear runtime growth on the order of O(log(number of processors)). We can efficiently model very large neural networks which have many neurons and interconnects and our mapping can extend to arbitrarily large networks (within memory limitations) by merging the memory space of separate processors with fast adjacent processor interprocessor communications. This paper will consider the simulation of only feed forward neural network although this method is extendable to recurrent networks.

  5. Trusting explanatory and exploratory models in computational geomorphology

    NASA Astrophysics Data System (ADS)

    Van De Wiel, Marco; Desjardins, Eric; Rousseau, Yannick; Martel, Tristan; Ashmore, Peter

    2014-05-01

    Computer simulations have become an increasingly important part of geomorphological investigation in the last decades. Simulations can be used not only to make specific predictions of the evolution of a geomorphic system (predictive modelling), but also to test theories and learn about geomorphic form and process in a timely and non destructive way (explanatory and exploratory modelling). The latter modes of modelling can be very useful for discovering spatial and temporal patterns, developing insights in the relation between form and process, and for understanding the causal structure of the physical landscape. But before we can have any hope that these type of simulations can effectively accomplish these tasks, simulationists must make the case that their computer modelling goes beyond mere numerical computation of theoretical idealization; that geomorphic investigation through computer modelling can play a similar role as field observation or laboratory experiment. Many of these explanatory and exploratory models are reduced-complexity models which exhibit a high degree of idealization and simplification. Moreover, they are often uncalibrated and untested on real geomorphic systems. Indeed, they are often used on idealized hypothetical landscapes, and sometimes are acknowledged not to be suitable for simulation of real systems. Does it make sense then to conceive of this type of computer modelling as a form of investigation capable of providing reliable knowledge about actual geomorphological phenomena? In this analysis it is argued that the traditional notion of establishing reliability or trustworthiness of models, i.e. a confirmation of predictive ability with regards to observed data, is not applicable to explanatory or exploratory modelling. Instead, trustworthiness of these models is established through broad qualitative conformity with known system dynamics, followed by a posteriori field and laboratory testing of hypotheses generated from the modelling

  6. Computational Modeling Develops Ultra-Hard Steel

    NASA Technical Reports Server (NTRS)

    2007-01-01

    Glenn Research Center's Mechanical Components Branch developed a spiral bevel or face gear test rig for testing thermal behavior, surface fatigue, strain, vibration, and noise; a full-scale, 500-horsepower helicopter main-rotor transmission testing stand; a gear rig that allows fundamental studies of the dynamic behavior of gear systems and gear noise; and a high-speed helical gear test for analyzing thermal behavior for rotorcraft. The test rig provides accelerated fatigue life testing for standard spur gears at speeds of up to 10,000 rotations per minute. The test rig enables engineers to investigate the effects of materials, heat treat, shot peen, lubricants, and other factors on the gear's performance. QuesTek Innovations LLC, based in Evanston, Illinois, recently developed a carburized, martensitic gear steel with an ultra-hard case using its computational design methodology, but needed to verify surface fatigue, lifecycle performance, and overall reliability. The Battelle Memorial Institute introduced the company to researchers at Glenn's Mechanical Components Branch and facilitated a partnership allowing researchers at the NASA Center to conduct spur gear fatigue testing for the company. Testing revealed that QuesTek's gear steel outperforms the current state-of-the-art alloys used for aviation gears in contact fatigue by almost 300 percent. With the confidence and credibility provided by the NASA testing, QuesTek is commercializing two new steel alloys. Uses for this new class of steel are limitless in areas that demand exceptional strength for high throughput applications.

  7. Application of CDIO model in major courses for computer profession

    NASA Astrophysics Data System (ADS)

    Yang, Xiaowen; Han, Xie

    2012-04-01

    This paper introduces the structure of CDIO model. Through analyzing the existent problem from teaching of recent computer profession, the teaching reform of major courses for computer profession is necessary. So this paper imports the model to the teaching reform of major courses for computer profession as operating system. It integrates the teaching content of operating system, uses the teaching methods of case, task-driving and collaboration and improves the assessment system. The questionnaire inquiries from the teaching practice prove that the mode improves the understanding ability of students for theory and through experiment teaching exercises practice and innovation ability for students. The improved effect is evident.

  8. Computationally efficient calibration of WATCLASS Hydrologic models using surrogate optimization

    NASA Astrophysics Data System (ADS)

    Kamali, M.; Ponnambalam, K.; Soulis, E. D.

    2007-07-01

    In this approach, exploration of the cost function space was performed with an inexpensive surrogate function, not the expensive original function. The Design and Analysis of Computer Experiments(DACE) surrogate function, which is one type of approximate models, which takes correlation function for error was employed. The results for Monte Carlo Sampling, Latin Hypercube Sampling and Design and Analysis of Computer Experiments(DACE) approximate model have been compared. The results show that DACE model has a good potential for predicting the trend of simulation results. The case study of this document was WATCLASS hydrologic model calibration on Smokey-River watershed.

  9. Models for evaluating the performability of degradable computing systems

    NASA Technical Reports Server (NTRS)

    Wu, L. T.

    1982-01-01

    Recent advances in multiprocessor technology established the need for unified methods to evaluate computing systems performance and reliability. In response to this modeling need, a general modeling framework that permits the modeling, analysis and evaluation of degradable computing systems is considered. Within this framework, several user oriented performance variables are identified and shown to be proper generalizations of the traditional notions of system performance and reliability. Furthermore, a time varying version of the model is developed to generalize the traditional fault tree reliability evaluation methods of phased missions.

  10. Scratch as a computational modelling tool for teaching physics

    NASA Astrophysics Data System (ADS)

    Lopez, Victor; Hernandez, Maria Isabel

    2015-05-01

    The Scratch online authoring tool, which features a simple programming language that has been adapted to primary and secondary students, is being used more and more in schools as it offers students and teachers the opportunity to use a tool to build scientific models and evaluate their behaviour, just as can be done with computational modelling programs. In this article, we briefly discuss why Scratch could be a useful tool for computational modelling in the primary or secondary physics classroom, and we present practical examples of how it can be used to build a model.

  11. Computational modeling of nuclear thermal rockets

    NASA Technical Reports Server (NTRS)

    Peery, Steven D.

    1993-01-01

    The topics are presented in viewgraph form and include the following: rocket engine transient simulation (ROCETS) system; ROCETS performance simulations composed of integrated component models; ROCETS system architecture significant features; ROCETS engineering nuclear thermal rocket (NTR) modules; ROCETS system easily adapts Fortran engineering modules; ROCETS NTR reactor module; ROCETS NTR turbomachinery module; detailed reactor analysis; predicted reactor power profiles; turbine bypass impact on system; and ROCETS NTR engine simulation summary.

  12. Computational modeling of nonlinear electromagnetic phenomena

    NASA Technical Reports Server (NTRS)

    Goorjian, Peter M.; Taflove, Allen

    1992-01-01

    A new algorithm has been developed that permits, for the first time, the direct time integration of the full-vector nonlinear Maxwell's equations. This new capability permits the modeling of linear and nonlinear, instantaneous and dispersive effects in the electric polarization material media. Results are presented of first-time calculations in 1D of the propagation and collision of femtosecond electromagnetic solitons that retain the optical carrier.

  13. Computational modeling of leukocyte adhesion cascade (LAC)

    NASA Astrophysics Data System (ADS)

    Sarkar, Kausik

    2005-11-01

    In response to an inflammation in the body, leukocytes (white blood cell) interact with the endothelium (interior wall of blood vessel) through a series of steps--capture, rolling, adhesion and transmigration--critical for proper functioning of the immune system. We are numerically simulating this process using a Front-tracking finite-difference method. The viscoelastcity of the cell membrane, cytoplasm and nucleus are incorporated and allowed to change with time in response to the cell surface molecular chemistry. The molecular level forces due to specific ligand-receptor interactions are accounted for by stochastic spring-peeling model. Even though leukocyte rolling has been investigated through various models, the transitioning through subsequent steps, specifically firm adhesion and transmigration through endothelial layer, has not been modeled. The change of viscoelastic properties due to the leukocyte activation is observed to play a critical role in mediating the transition from rolling to transmigration. We will provide details of our approach and discuss preliminary results.

  14. Generation and 3-Dimensional Quantitation of Arterial Lesions in Mice Using Optical Projection Tomography

    PubMed Central

    Kirkby, Nicholas S.; Low, Lucinda; Wu, Junxi; Miller, Eileen; Seckl, Jonathan R.; Walker, Brian R.; Webb, David J.; Hadoke, Patrick W. F.

    2015-01-01

    The generation and analysis of vascular lesions in appropriate animal models is a cornerstone of research into cardiovascular disease, generating important information on the pathogenesis of lesion formation and the action of novel therapies. Use of atherosclerosis-prone mice, surgical methods of lesion induction, and dietary modification has dramatically improved understanding of the mechanisms that contribute to disease development and the potential of new treatments. Classically, analysis of lesions is performed ex vivo using 2-dimensional histological techniques. This article describes application of optical projection tomography (OPT) to 3-dimensional quantitation of arterial lesions. As this technique is non-destructive, it can be used as an adjunct to standard histological and immunohistochemical analyses. Neointimal lesions were induced by wire-insertion or ligation of the mouse femoral artery whilst atherosclerotic lesions were generated by administration of an atherogenic diet to apoE-deficient mice. Lesions were examined using OPT imaging of autofluorescent emission followed by complementary histological and immunohistochemical analysis. OPT clearly distinguished lesions from the underlying vascular wall. Lesion size was calculated in 2-dimensional sections using planimetry, enabling calculation of lesion volume and maximal cross-sectional area. Data generated using OPT were consistent with measurements obtained using histology, confirming the accuracy of the technique and its potential as a complement (rather than alternative) to traditional methods of analysis. This work demonstrates the potential of OPT for imaging atherosclerotic and neointimal lesions. It provides a rapid, much needed ex vivo technique for the routine 3-dimensional quantification of vascular remodelling. PMID:26067588

  15. Integrated Multiscale Modeling of Molecular Computing Devices

    SciTech Connect

    Gregory Beylkin

    2012-03-23

    Significant advances were made on all objectives of the research program. We have developed fast multiresolution methods for performing electronic structure calculations with emphasis on constructing efficient representations of functions and operators. We extended our approach to problems of scattering in solids, i.e. constructing fast algorithms for computing above the Fermi energy level. Part of the work was done in collaboration with Robert Harrison and George Fann at ORNL. Specific results (in part supported by this grant) are listed here and are described in greater detail. (1) We have implemented a fast algorithm to apply the Green's function for the free space (oscillatory) Helmholtz kernel. The algorithm maintains its speed and accuracy when the kernel is applied to functions with singularities. (2) We have developed a fast algorithm for applying periodic and quasi-periodic, oscillatory Green's functions and those with boundary conditions on simple domains. Importantly, the algorithm maintains its speed and accuracy when applied to functions with singularities. (3) We have developed a fast algorithm for obtaining and applying multiresolution representations of periodic and quasi-periodic Green's functions and Green's functions with boundary conditions on simple domains. (4) We have implemented modifications to improve the speed of adaptive multiresolution algorithms for applying operators which are represented via a Gaussian expansion. (5) We have constructed new nearly optimal quadratures for the sphere that are invariant under the icosahedral rotation group. (6) We obtained new results on approximation of functions by exponential sums and/or rational functions, one of the key methods that allows us to construct separated representations for Green's functions. (7) We developed a new fast and accurate reduction algorithm for obtaining optimal approximation of functions by exponential sums and/or their rational representations.

  16. A distributed computing model for telemetry data processing

    NASA Technical Reports Server (NTRS)

    Barry, Matthew R.; Scott, Kevin L.; Weismuller, Steven P.

    1994-01-01

    We present a new approach to distributing processed telemetry data among spacecraft flight controllers within the control centers at NASA's Johnson Space Center. This approach facilitates the development of application programs which integrate spacecraft-telemetered data and ground-based synthesized data, then distributes this information to flight controllers for analysis and decision-making. The new approach combines various distributed computing models into one hybrid distributed computing model. The model employs both client-server and peer-to-peer distributed computing models cooperating to provide users with information throughout a diverse operations environment. Specifically, it provides an attractive foundation upon which we are building critical real-time monitoring and control applications, while simultaneously lending itself to peripheral applications in playback operations, mission preparations, flight controller training, and program development and verification. We have realized the hybrid distributed computing model through an information sharing protocol. We shall describe the motivations that inspired us to create this protocol, along with a brief conceptual description of the distributed computing models it employs. We describe the protocol design in more detail, discussing many of the program design considerations and techniques we have adopted. Finally, we describe how this model is especially suitable for supporting the implementation of distributed expert system applications.

  17. A distributed computing model for telemetry data processing

    NASA Astrophysics Data System (ADS)

    Barry, Matthew R.; Scott, Kevin L.; Weismuller, Steven P.

    1994-05-01

    We present a new approach to distributing processed telemetry data among spacecraft flight controllers within the control centers at NASA's Johnson Space Center. This approach facilitates the development of application programs which integrate spacecraft-telemetered data and ground-based synthesized data, then distributes this information to flight controllers for analysis and decision-making. The new approach combines various distributed computing models into one hybrid distributed computing model. The model employs both client-server and peer-to-peer distributed computing models cooperating to provide users with information throughout a diverse operations environment. Specifically, it provides an attractive foundation upon which we are building critical real-time monitoring and control applications, while simultaneously lending itself to peripheral applications in playback operations, mission preparations, flight controller training, and program development and verification. We have realized the hybrid distributed computing model through an information sharing protocol. We shall describe the motivations that inspired us to create this protocol, along with a brief conceptual description of the distributed computing models it employs. We describe the protocol design in more detail, discussing many of the program design considerations and techniques we have adopted. Finally, we describe how this model is especially suitable for supporting the implementation of distributed expert system applications.

  18. Enabling Grid Computing resources within the KM3NeT computing model

    NASA Astrophysics Data System (ADS)

    Filippidis, Christos

    2016-04-01

    KM3NeT is a future European deep-sea research infrastructure hosting a new generation neutrino detectors that - located at the bottom of the Mediterranean Sea - will open a new window on the universe and answer fundamental questions both in particle physics and astrophysics. International collaborative scientific experiments, like KM3NeT, are generating datasets which are increasing exponentially in both complexity and volume, making their analysis, archival, and sharing one of the grand challenges of the 21st century. These experiments, in their majority, adopt computing models consisting of different Tiers with several computing centres and providing a specific set of services for the different steps of data processing such as detector calibration, simulation and data filtering, reconstruction and analysis. The computing requirements are extremely demanding and, usually, span from serial to multi-parallel or GPU-optimized jobs. The collaborative nature of these experiments demands very frequent WAN data transfers and data sharing among individuals and groups. In order to support the aforementioned demanding computing requirements we enabled Grid Computing resources, operated by EGI, within the KM3NeT computing model. In this study we describe our first advances in this field and the method for the KM3NeT users to utilize the EGI computing resources in a simulation-driven use-case.

  19. Computer assisted modeling of ethyl sulfate pharmacokinetics.

    PubMed

    Schmitt, Georg; Halter, Claudia C; Aderjan, Rolf; Auwaerter, Volker; Weinmann, Wolfgang

    2010-01-30

    For 12 volunteers of a drinking experiment the concentration-time-courses of ethyl sulfate (EtS) and ethanol were simulated and fitted to the experimental data. The concentration-time-courses were described with the same mathematical model as previously used for ethyl glucuronide (EtG). The kinetic model based on the following assumptions and simplifications: a velocity constant k(form) for the first order formation of ethyl sulfate from ethanol and an exponential elimination constant k(el). The mean values (and standard deviations) obtained for k(form) and k(el) were 0.00052 h(-1) (0.00014) and 0.561 h(-1) (0.131), respectively. Using the ranges of these parameters it is possible to calculate minimum and maximum serum concentrations of EtS based on stated ethanol doses and drinking times. The comparison of calculated and measured concentrations can prove the plausibility of alleged ethanol consumption and add evidence to the retrospective calculation of ethanol concentrations based on EtG concentrations. PMID:19913378

  20. Computational models for the nonlinear analysis of reinforced concrete plates

    NASA Technical Reports Server (NTRS)

    Hinton, E.; Rahman, H. H. A.; Huq, M. M.

    1980-01-01

    A finite element computational model for the nonlinear analysis of reinforced concrete solid, stiffened and cellular plates is briefly outlined. Typically, Mindlin elements are used to model the plates whereas eccentric Timoshenko elements are adopted to represent the beams. The layering technique, common in the analysis of reinforced concrete flexural systems, is incorporated in the model. The proposed model provides an inexpensive and reasonably accurate approach which can be extended for use with voided plates.

  1. Computer model of cardiovascular control system responses to exercise

    NASA Technical Reports Server (NTRS)

    Croston, R. C.; Rummel, J. A.; Kay, F. J.

    1973-01-01

    Approaches of systems analysis and mathematical modeling together with computer simulation techniques are applied to the cardiovascular system in order to simulate dynamic responses of the system to a range of exercise work loads. A block diagram of the circulatory model is presented, taking into account arterial segments, venous segments, arterio-venous circulation branches, and the heart. A cardiovascular control system model is also discussed together with model test results.

  2. A cognitive model for problem solving in computer science

    NASA Astrophysics Data System (ADS)

    Parham, Jennifer R.

    According to industry representatives, computer science education needs to emphasize the processes involved in solving computing problems rather than their solutions. Most of the current assessment tools used by universities and computer science departments analyze student answers to problems rather than investigating the processes involved in solving them. Approaching assessment from this perspective would reveal potential errors leading to incorrect solutions. This dissertation proposes a model describing how people solve computational problems by storing, retrieving, and manipulating information and knowledge. It describes how metacognition interacts with schemata representing conceptual and procedural knowledge, as well as with the external sources of information that might be needed to arrive at a solution. Metacognition includes higher-order, executive processes responsible for controlling and monitoring schemata, which in turn represent the algorithmic knowledge needed for organizing and adapting concepts to a specific domain. The model illustrates how metacognitive processes interact with the knowledge represented by schemata as well as the information from external sources. This research investigates the differences in the way computer science novices use their metacognition and schemata to solve a computer programming problem. After J. Parham and L. Gugerty reached an 85% reliability for six metacognitive processes and six domain-specific schemata for writing a computer program, the resulting vocabulary provided the foundation for supporting the existence of and the interaction between metacognition, schemata, and external sources of information in computer programming. Overall, the participants in this research used their schemata 6% more than their metacognition and their metacognitive processes to control and monitor their schemata used to write a computer program. This research has potential implications in computer science education and software

  3. Revisions to the hydrogen gas generation computer model

    SciTech Connect

    Jerrell, J.W.

    1992-08-31

    Waste Management Technology has requested SRTC to maintain and extend a previously developed computer model, TRUGAS, which calculates hydrogen gas concentrations within the transuranic (TRU) waste drums. TRUGAS was written by Frank G. Smith using the BASIC language and is described in the report A Computer Model of gas Generation and Transport within TRU Waste Drums (DP- 1754). The computer model has been partially validated by yielding results similar to experimental data collected at SRL and LANL over a wide range of conditions. The model was created to provide the capability of predicting conditions that could potentially lead to the formation of flammable gas concentrations within drums, and to assess proposed drum venting methods. The model has served as a tool in determining how gas concentrations are affected by parameters such as filter vent sizes, waste composition, gas generation values, the number and types of enclosures, water instrusion into the drum, and curie loading. The success of the TRUGAS model has prompted an interest in the program`s maintenance and enhancement. Experimental data continues to be collected at various sites on such parameters as permeability values, packaging arrangements, filter designs, and waste contents. Information provided by this data is used to improve the accuracy of the model`s predictions. Also, several modifications to the model have been made to enlarge the scope of problems which can be analyzed. For instance, the model has been used to calculate hydrogen concentrations inside steel cabinets containing retired glove boxes (WSRC-RP-89-762). The revised TRUGAS computer model, H2GAS, is described in this report. This report summarizes all modifications made to the TRUGAS computer model and provides documentation useful for making future updates to H2GAS.

  4. A Perspective on Computational Human Performance Models as Design Tools

    NASA Technical Reports Server (NTRS)

    Jones, Patricia M.

    2010-01-01

    The design of interactive systems, including levels of automation, displays, and controls, is usually based on design guidelines and iterative empirical prototyping. A complementary approach is to use computational human performance models to evaluate designs. An integrated strategy of model-based and empirical test and evaluation activities is particularly attractive as a methodology for verification and validation of human-rated systems for commercial space. This talk will review several computational human performance modeling approaches and their applicability to design of display and control requirements.

  5. A propagation model of computer virus with nonlinear vaccination probability

    NASA Astrophysics Data System (ADS)

    Gan, Chenquan; Yang, Xiaofan; Liu, Wanping; Zhu, Qingyi

    2014-01-01

    This paper is intended to examine the effect of vaccination on the spread of computer viruses. For that purpose, a novel computer virus propagation model, which incorporates a nonlinear vaccination probability, is proposed. A qualitative analysis of this model reveals that, depending on the value of the basic reproduction number, either the virus-free equilibrium or the viral equilibrium is globally asymptotically stable. The results of simulation experiments not only demonstrate the validity of our model, but also show the effectiveness of nonlinear vaccination strategies. Through parameter analysis, some effective strategies for eradicating viruses are suggested.

  6. Computational Neuroscience: Modeling the Systems Biology of Synaptic Plasticity

    PubMed Central

    Kotaleski, Jeanette Hellgren; Blackwell, Kim T.

    2016-01-01

    Preface Synaptic plasticity is a mechanism proposed to underlie learning and memory. The complexity of the interactions between ion channels, enzymes, and genes involved in synaptic plasticity impedes a deep understanding of this phenomenon. Computer modeling is an approach to investigate the information processing that is performed by signaling pathways underlying synaptic plasticity. In the past few years, new software developments that blend computational neuroscience techniques with systems biology techniques have allowed large-scale, quantitative modeling of synaptic plasticity in neurons. We highlight significant advancements produced by these modeling efforts and introduce promising approaches that utilize advancements in live cell imaging. PMID:20300102

  7. Optical computing based on neuronal models

    NASA Astrophysics Data System (ADS)

    Farhat, Nabil H.

    1987-10-01

    Ever since the fit between what neural net models can offer (collective, iterative, nonlinear, robust, and fault-tolerant approach to information processing) and the inherent capabilities of optics (parallelism and massive interconnectivity) was first pointed out and the first optical associative memory demonstrated in 1985, work and interest in neuromorphic optical signal processing has been growing steadily. For example, work in optical associative memories is currently being conducted at several academic institutions (e.g., California Institute of Technology, University of Colorado, University of California-San Diego, Stanford University, University of Rochester, and the author's own institution the University of Pennsylvania) and at several industrial and governmental laboratories (e.g., Hughes Research Laboratories - Malibu, the Naval Research Laboratory, and the Jet Propulsion Laboratory). In these efforts, in addition to the vector matrix multiplication with thresholding and feedback scheme utilized in early implementations, an arsenal of sophisticated optical tools such as holographic storage, phase conjugate optics, and wavefront modulation and mixing are being drawn on to realize associative memory functions.

  8. A computer model for predicting grapevine cold hardiness

    Technology Transfer Automated Retrieval System (TEKTRAN)

    We developed a robust computer model of grapevine bud cold hardiness that will aid in the anticipation of and response to potential injury from fluctuations in winter temperature and from extreme cold events. The model uses time steps of 1 day along with the measured daily mean air temperature to ca...

  9. Industry-Wide Workshop on Computational Turbulence Modeling

    NASA Technical Reports Server (NTRS)

    Shabbir, Aamir (Compiler)

    1995-01-01

    This publication contains the presentations made at the Industry-Wide Workshop on Computational Turbulence Modeling which took place on October 6-7, 1994. The purpose of the workshop was to initiate the transfer of technology developed at Lewis Research Center to industry and to discuss the current status and the future needs of turbulence models in industrial CFD.

  10. SHAWNEE FLUE GAS DESULFURIZATION COMPUTER MODEL USERS MANUAL

    EPA Science Inventory

    The manual describes a Shawnee flue gas desulfurization (FGD) computer model and gives detailed instructions for its use. The model, jointly developed by Bechtel National, Inc. and TVA (in conjunction with the EPA-sponsored Shawnee test program), is capable of projecting prelimin...

  11. Computer Modelling of Biological Molecules: Free Resources on the Internet.

    ERIC Educational Resources Information Center

    Millar, Neil

    1996-01-01

    Describes a three-dimensional computer modeling system for biological molecules which is suitable for sixth-form teaching. Consists of the modeling program "RasMol" together with structure files of proteins, DNA, and small biological molecules. Describes how the whole system can be downloaded from various sites on the Internet. (Author/JRH)

  12. Modeling civil violence: An agent-based computational approach

    PubMed Central

    Epstein, Joshua M.

    2002-01-01

    This article presents an agent-based computational model of civil violence. Two variants of the civil violence model are presented. In the first a central authority seeks to suppress decentralized rebellion. In the second a central authority seeks to suppress communal violence between two warring ethnic groups. PMID:11997450

  13. The Problem Cycle: A Model for Computer Education.

    ERIC Educational Resources Information Center

    Lloyd, Margaret

    1998-01-01

    Presents a model based on a bicycle metaphor for teaching problem solving and computer-mediated solutions, discusses its implications for education, and lists ten strategies applied using the model. Provides a unit plan on using spreadsheets to explore Australian convict history, outlining establishment, development, interpretation, and…

  14. LIME SPRAY DRYER FLUE GAS DESULFURIZATION COMPUTER MODEL USERS MANUAL

    EPA Science Inventory

    The report describes a lime spray dryer/baghouse (FORTRAN) computer model that simulates SO2 removal and permits study of related impacts on design and economics as functions of design parameters and operating conditions for coal-fired electric generating units. The model allows ...

  15. Constructing Scientific Arguments Using Evidence from Dynamic Computational Climate Models

    ERIC Educational Resources Information Center

    Pallant, Amy; Lee, Hee-Sun

    2015-01-01

    Modeling and argumentation are two important scientific practices students need to develop throughout school years. In this paper, we investigated how middle and high school students (N = 512) construct a scientific argument based on evidence from computational models with which they simulated climate change. We designed scientific argumentation…

  16. Computational 3-D Model of the Human Respiratory System

    EPA Science Inventory

    We are developing a comprehensive, morphologically-realistic computational model of the human respiratory system that can be used to study the inhalation, deposition, and clearance of contaminants, while being adaptable for age, race, gender, and health/disease status. The model ...

  17. Operation of the computer model for microenvironment solar exposure

    NASA Technical Reports Server (NTRS)

    Gillis, J. R.; Bourassa, R. J.; Gruenbaum, P. E.

    1995-01-01

    A computer model for microenvironmental solar exposure was developed to predict solar exposure to satellite surfaces which may shadow or reflect on one another. This document describes the technical features of the model as well as instructions for the installation and use of the program.

  18. Computational science: shifting the focus from tools to models

    PubMed Central

    Hinsen, Konrad

    2014-01-01

    Computational techniques have revolutionized many aspects of scientific research over the last few decades. Experimentalists use computation for data analysis, processing ever bigger data sets. Theoreticians compute predictions from ever more complex models. However, traditional articles do not permit the publication of big data sets or complex models. As a consequence, these crucial pieces of information no longer enter the scientific record. Moreover, they have become prisoners of scientific software: many models exist only as software implementations, and the data are often stored in proprietary formats defined by the software. In this article, I argue that this emphasis on software tools over models and data is detrimental to science in the long term, and I propose a means by which this can be reversed. PMID:25309728

  19. Computational fluid dynamics modeling for emergency preparedness & response

    SciTech Connect

    Lee, R.L.; Albritton, J.R.; Ermak, D.L.; Kim, J.

    1995-07-01

    Computational fluid dynamics (CFD) has played an increasing role in the improvement of atmospheric dispersion modeling. This is because many dispersion models are now driven by meteorological fields generated from CFD models or, in numerical weather prediction`s terminology, prognostic models. Whereas most dispersion models typically involve one or a few scalar, uncoupled equations, the prognostic equations are a set of highly-coupled, nonlinear equations whose solution requires a significant level of computational power. Until recently, such computer power could be found only in CRAY-class supercomputers. Recent advances in computer hardware and software have enabled modestly-priced, high performance, workstations to exhibit the equivalent computation power of some mainframes. Thus desktop-class machines that were limited to performing dispersion calculations driven by diagnostic wind fields may now be used to calculate complex flows using prognostic CFD models. The Atmospheric Release and Advisory Capability (ARAC) program at Lawrence Livermore National Laboratory (LLNL) has, for the past several years, taken advantage of the improvements in hardware technology to develop a national emergency response capability based on executing diagnostic models on workstations. Diagnostic models that provide wind fields are, in general, simple to implement, robust and require minimal time for execution. Such models have been the cornerstones of the ARAC operational system for the past ten years. Kamada (1992) provides a review of diagnostic models and their applications to dispersion problems. However, because these models typically contain little physics beyond mass-conservation, their performance is extremely sensitive to the quantity and quality of input meteorological data and, in spite of their utility, can be applied with confidence to only modestly complex flows.

  20. Revisions to the hydrogen gas generation computer model

    SciTech Connect

    Jerrell, J.W.

    1992-08-31

    Waste Management Technology has requested SRTC to maintain and extend a previously developed computer model, TRUGAS, which calculates hydrogen gas concentrations within the transuranic (TRU) waste drums. TRUGAS was written by Frank G. Smith using the BASIC language and is described in the report A Computer Model of gas Generation and Transport within TRU Waste Drums (DP- 1754). The computer model has been partially validated by yielding results similar to experimental data collected at SRL and LANL over a wide range of conditions. The model was created to provide the capability of predicting conditions that could potentially lead to the formation of flammable gas concentrations within drums, and to assess proposed drum venting methods. The model has served as a tool in determining how gas concentrations are affected by parameters such as filter vent sizes, waste composition, gas generation values, the number and types of enclosures, water instrusion into the drum, and curie loading. The success of the TRUGAS model has prompted an interest in the program's maintenance and enhancement. Experimental data continues to be collected at various sites on such parameters as permeability values, packaging arrangements, filter designs, and waste contents. Information provided by this data is used to improve the accuracy of the model's predictions. Also, several modifications to the model have been made to enlarge the scope of problems which can be analyzed. For instance, the model has been used to calculate hydrogen concentrations inside steel cabinets containing retired glove boxes (WSRC-RP-89-762). The revised TRUGAS computer model, H2GAS, is described in this report. This report summarizes all modifications made to the TRUGAS computer model and provides documentation useful for making future updates to H2GAS.

  1. Biomechanical 3-Dimensional Finite Element Analysis of Obturator Protheses Retained with Zygomatic and Dental Implants in Maxillary Defects

    PubMed Central

    Akay, Canan; Yaluğ, Suat

    2015-01-01

    Background The objective of this study was to investigate the stress distribution in the bone around zygomatic and dental implants for 3 different implant-retained obturator prostheses designs in a Aramany class IV maxillary defect using 3-dimensional finite element analysis (FEA). Material\\Methods A 3-dimensional finite element model of an Aramany class IV defect was created. Three different implant-retained obturator prostheses were modeled: model 1 with 1 zygomatic implant and 1 dental implant, model 2 with 1 zygomatic implant and 2 dental implants, and model 3 with 2 zygomatic implants. Locator attachments were used as a superstructure. A 150-N load was applied 3 different ways. Qualitative analysis was based on the scale of maximum principal stress; values obtained through quantitative analysis are expressed in MPa. Results In all loading conditions, model 3 (when compared models 1 and 2) showed the lowest maximum principal stress value. Model 3 is the most appropirate reconstruction in Aramany class IV maxillary defects. Two zygomatic implants can reduce the stresses in model 3. The distribution of stresses on prostheses were more rational with the help of zygoma implants, which can distribute the stresses on each part of the maxilla. Conclusions Aramany class IV obturator prosthesis placement of 2 zygomatic implants in each side of the maxilla is more advantageous than placement of dental implants. In the non-defective side, increasing the number of dental implants is not as suitable as zygomatic implants. PMID:25714086

  2. Computationally inexpensive identification of noninformative model parameters by sequential screening

    NASA Astrophysics Data System (ADS)

    Mai, Juliane; Cuntz, Matthias; Zink, Matthias; Thober, Stephan; Kumar, Rohini; Schäfer, David; Schrön, Martin; Craven, John; Rakovec, Oldrich; Spieler, Diana; Prykhodko, Vladyslav; Dalmasso, Giovanni; Musuuza, Jude; Langenberg, Ben; Attinger, Sabine; Samaniego, Luis

    2016-04-01

    Environmental models tend to require increasing computational time and resources as physical process descriptions are improved or new descriptions are incorporated. Many-query applications such as sensitivity analysis or model calibration usually require a large number of model evaluations leading to high computational demand. This often limits the feasibility of rigorous analyses. Here we present a fully automated sequential screening method that selects only informative parameters for a given model output. The method requires a number of model evaluations that is approximately 10 times the number of model parameters. It was tested using the mesoscale hydrologic model mHM in three hydrologically unique European river catchments. It identified around 20 informative parameters out of 52, with different informative parameters in each catchment. The screening method was evaluated with subsequent analyses using all 52 as well as only the informative parameters. Subsequent Sobol's global sensitivity analysis led to almost identical results yet required 40% fewer model evaluations after screening. mHM was calibrated with all and with only informative parameters in the three catchments. Model performances for daily discharge were equally high in both cases with Nash-Sutcliffe efficiencies above 0.82. Calibration using only the informative parameters needed just one third of the number of model evaluations. The universality of the sequential screening method was demonstrated using several general test functions from the literature. We therefore recommend the use of the computationally inexpensive sequential screening method prior to rigorous analyses on complex environmental models.

  3. Computationally inexpensive identification of noninformative model parameters by sequential screening

    NASA Astrophysics Data System (ADS)

    Cuntz, Matthias; Mai, Juliane; Zink, Matthias; Thober, Stephan; Kumar, Rohini; Schäfer, David; Schrön, Martin; Craven, John; Rakovec, Oldrich; Spieler, Diana; Prykhodko, Vladyslav; Dalmasso, Giovanni; Musuuza, Jude; Langenberg, Ben; Attinger, Sabine; Samaniego, Luis

    2015-08-01

    Environmental models tend to require increasing computational time and resources as physical process descriptions are improved or new descriptions are incorporated. Many-query applications such as sensitivity analysis or model calibration usually require a large number of model evaluations leading to high computational demand. This often limits the feasibility of rigorous analyses. Here we present a fully automated sequential screening method that selects only informative parameters for a given model output. The method requires a number of model evaluations that is approximately 10 times the number of model parameters. It was tested using the mesoscale hydrologic model mHM in three hydrologically unique European river catchments. It identified around 20 informative parameters out of 52, with different informative parameters in each catchment. The screening method was evaluated with subsequent analyses using all 52 as well as only the informative parameters. Subsequent Sobol's global sensitivity analysis led to almost identical results yet required 40% fewer model evaluations after screening. mHM was calibrated with all and with only informative parameters in the three catchments. Model performances for daily discharge were equally high in both cases with Nash-Sutcliffe efficiencies above 0.82. Calibration using only the informative parameters needed just one third of the number of model evaluations. The universality of the sequential screening method was demonstrated using several general test functions from the literature. We therefore recommend the use of the computationally inexpensive sequential screening method prior to rigorous analyses on complex environmental models.

  4. Computer modeling of events in the inner magnetosphere

    NASA Technical Reports Server (NTRS)

    Harel, M.; Wolf, R. A.; Reiff, P. H.; Smiddy, M.

    1979-01-01

    The first effort at computer simulating the behavior of the inner magnetosphere during a substorm-type event on 19 September 1976 was completed. The computer model simulates many aspects of the behavior of the closed-field-line portion of the earth's magnetosphere, and the auroral and subauroral ionosphere. For these regions, the program self-consistently computes electric fields, electric currents, hot-plasma densities, plasma flow velocities and other parameters. Highlights of the results of our event simulation are presented. Predicted electric fields for several times during the event agree reasonably well with corresponding data from satellite S3-2. Detailed discussion is presented for a case of rapid subauroral flow that was observed on one S3-2 pass and is predicted by the computer runs. The computed global distribution of Birkeland current agrees reasonably well with the observations of Iijima and Potemra.

  5. Integrated Multiscale Modeling of Molecular Computing Devices

    SciTech Connect

    Weinan E

    2012-03-29

    The main bottleneck in modeling transport in molecular devices is to develop the correct formulation of the problem and efficient algorithms for analyzing the electronic structure and dynamics using, for example, the time-dependent density functional theory. We have divided this task into several steps. The first step is to developing the right mathematical formulation and numerical algorithms for analyzing the electronic structure using density functional theory. The second step is to study time-dependent density functional theory, particularly the far-field boundary conditions. The third step is to study electronic transport in molecular devices. We are now at the end of the first step. Under DOE support, we have made subtantial progress in developing linear scaling and sub-linear scaling algorithms for electronic structure analysis. Although there has been a huge amount of effort in the past on developing linear scaling algorithms, most of the algorithms developed suffer from the lack of robustness and controllable accuracy. We have made the following progress: (1) We have analyzed thoroughly the localization properties of the wave-functions. We have developed a clear understanding of the physical as well as mathematical origin of the decay properties. One important conclusion is that even for metals, one can choose wavefunctions that decay faster than any algebraic power. (2) We have developed algorithms that make use of these localization properties. Our algorithms are based on non-orthogonal formulations of the density functional theory. Our key contribution is to add a localization step into the algorithm. The addition of this localization step makes the algorithm quite robust and much more accurate. Moreover, we can control the accuracy of these algorithms by changing the numerical parameters. (3) We have considerably improved the Fermi operator expansion (FOE) approach. Through pole expansion, we have developed the optimal scaling FOE algorithm.

  6. 3-dimensional imaging system using crystal diffraction lenses

    DOEpatents

    Smither, Robert K.

    1999-01-01

    A device for imaging a plurality of sources of x-ray and gamma-ray radiation is provided. Diffracting crystals are used for focussing the radiation and directing the radiation to a detector which is used for analyzing their addition to collect data as to the location of the source of radiation. A computer is used for converting the data to an image. The invention also provides for a method for imaging x-ray and gamma radiation by supplying a plurality of sources of radiation; focussing the radiation onto a detector; analyzing the focused radiation to collect data as to the type and location of the radiation; and producing an image using the data.

  7. 3-dimensional imaging system using crystal diffraction lenses

    DOEpatents

    Smither, R.K.

    1999-02-09

    A device for imaging a plurality of sources of x-ray and gamma-ray radiation is provided. Diffracting crystals are used for focusing the radiation and directing the radiation to a detector which is used for analyzing their addition to collect data as to the location of the source of radiation. A computer is used for converting the data to an image. The invention also provides for a method for imaging x-ray and gamma radiation by supplying a plurality of sources of radiation; focusing the radiation onto a detector; analyzing the focused radiation to collect data as to the type and location of the radiation; and producing an image using the data. 18 figs.

  8. A sticker-based model for DNA computation.

    PubMed

    Roweis, S; Winfree, E; Burgoyne, R; Chelyapov, N V; Goodman, M F; Rothemund, P W; Adleman, L M

    1998-01-01

    We introduce a new model of molecular computation that we call the sticker model. Like many previous proposals it makes use of DNA strands as the physical substrate in which information is represented and of separation by hybridization as a central mechanism. However, unlike previous models, the stickers model has a random access memory that requires no strand extension and uses no enzymes; also (at least in theory), its materials are reusable. The paper describes computation under the stickers model and discusses possible means for physically implementing each operation. Finally, we go on to propose a specific machine architecture for implementing the stickers model as a microprocessor-controlled parallel robotic workstation. In the course of this development a number of previous general concerns about molecular computation (Smith, 1996; Hartmanis, 1995; Linial et al., 1995) are addressed. First, it is clear that general-purpose algorithms can be implemented by DNA-based computers, potentially solving a wide class of search problems. Second, we find that there are challenging problems, for which only modest volumes of DNA should suffice. Third, we demonstrate that the formation and breaking of covalent bonds is not intrinsic to DNA-based computation. Fourth, we show that a single essential biotechnology, sequence-specific separation, suffices for constructing a general-purpose molecular computer. Concerns about errors in this separation operation and means to reduce them are addressed elsewhere (Karp et al., 1995; Roweis and Winfree, 1999). Despite these encouraging theoretical advances, we emphasize that substantial engineering challenges remain at almost all stages and that the ultimate success or failure of DNA computing will certainly depend on whether these challenges can be met in laboratory investigations. PMID:10072080

  9. Methodology for characterizing modeling and discretization uncertainties in computational simulation

    SciTech Connect

    ALVIN,KENNETH F.; OBERKAMPF,WILLIAM L.; RUTHERFORD,BRIAN M.; DIEGERT,KATHLEEN V.

    2000-03-01

    This research effort focuses on methodology for quantifying the effects of model uncertainty and discretization error on computational modeling and simulation. The work is directed towards developing methodologies which treat model form assumptions within an overall framework for uncertainty quantification, for the purpose of developing estimates of total prediction uncertainty. The present effort consists of work in three areas: framework development for sources of uncertainty and error in the modeling and simulation process which impact model structure; model uncertainty assessment and propagation through Bayesian inference methods; and discretization error estimation within the context of non-deterministic analysis.

  10. EEG Control of a Virtual Helicopter in 3-Dimensional Space Using Intelligent Control Strategies

    PubMed Central

    Royer, Audrey S.; Doud, Alexander J.; Rose, Minn L.

    2011-01-01

    Films like Firefox, Surrogates, and Avatar have explored the possibilities of using brain-computer interfaces (BCIs) to control machines and replacement bodies with only thought. Real world BCIs have made great progress toward that end. Invasive BCIs have enabled monkeys to fully explore 3-dimensional (3D) space using neuroprosthetics. However, non-invasive BCIs have not been able to demonstrate such mastery of 3D space. Here, we report our work, which demonstrates that human subjects can use a non-invasive BCI to fly a virtual helicopter to any point in a 3D world. Through use of intelligent control strategies, we have facilitated the realization of controlled flight in 3D space. We accomplished this through a reductionist approach that assigns subject-specific control signals to the crucial components of 3D flight. Subject control of the helicopter was comparable when using either the BCI or a keyboard. By using intelligent control strategies, the strengths of both the user and the BCI system were leveraged and accentuated. Intelligent control strategies in BCI systems such as those presented here may prove to be the foundation for complex BCIs capable of doing more than we ever imagined. PMID:20876032

  11. Automated image analysis reveals the dynamic 3-dimensional organization of multi-ciliary arrays

    PubMed Central

    Galati, Domenico F.; Abuin, David S.; Tauber, Gabriel A.; Pham, Andrew T.; Pearson, Chad G.

    2016-01-01

    ABSTRACT Multi-ciliated cells (MCCs) use polarized fields of undulating cilia (ciliary array) to produce fluid flow that is essential for many biological processes. Cilia are positioned by microtubule scaffolds called basal bodies (BBs) that are arranged within a spatially complex 3-dimensional geometry (3D). Here, we develop a robust and automated computational image analysis routine to quantify 3D BB organization in the ciliate, Tetrahymena thermophila. Using this routine, we generate the first morphologically constrained 3D reconstructions of Tetrahymena cells and elucidate rules that govern the kinetics of MCC organization. We demonstrate the interplay between BB duplication and cell size expansion through the cell cycle. In mutant cells, we identify a potential BB surveillance mechanism that balances large gaps in BB spacing by increasing the frequency of closely spaced BBs in other regions of the cell. Finally, by taking advantage of a mutant predisposed to BB disorganization, we locate the spatial domains that are most prone to disorganization by environmental stimuli. Collectively, our analyses reveal the importance of quantitative image analysis to understand the principles that guide the 3D organization of MCCs. PMID:26700722

  12. Automated image analysis reveals the dynamic 3-dimensional organization of multi-ciliary arrays.

    PubMed

    Galati, Domenico F; Abuin, David S; Tauber, Gabriel A; Pham, Andrew T; Pearson, Chad G

    2015-01-01

    Multi-ciliated cells (MCCs) use polarized fields of undulating cilia (ciliary array) to produce fluid flow that is essential for many biological processes. Cilia are positioned by microtubule scaffolds called basal bodies (BBs) that are arranged within a spatially complex 3-dimensional geometry (3D). Here, we develop a robust and automated computational image analysis routine to quantify 3D BB organization in the ciliate, Tetrahymena thermophila. Using this routine, we generate the first morphologically constrained 3D reconstructions of Tetrahymena cells and elucidate rules that govern the kinetics of MCC organization. We demonstrate the interplay between BB duplication and cell size expansion through the cell cycle. In mutant cells, we identify a potential BB surveillance mechanism that balances large gaps in BB spacing by increasing the frequency of closely spaced BBs in other regions of the cell. Finally, by taking advantage of a mutant predisposed to BB disorganization, we locate the spatial domains that are most prone to disorganization by environmental stimuli. Collectively, our analyses reveal the importance of quantitative image analysis to understand the principles that guide the 3D organization of MCCs. PMID:26700722

  13. Cerebral Degeneration in Amyotrophic Lateral Sclerosis Revealed by 3-Dimensional Texture Analysis

    PubMed Central

    Maani, Rouzbeh; Yang, Yee-Hong; Emery, Derek; Kalra, Sanjay

    2016-01-01

    Introduction: Routine MR images do not consistently reveal pathological changes in the brain in ALS. Texture analysis, a method to quantitate voxel intensities and their patterns and interrelationships, can detect changes in images not apparent to the naked eye. Our objective was to evaluate cerebral degeneration in ALS using 3-dimensional texture analysis of MR images of the brain. Methods: In a case-control design, voxel-based texture analysis was performed on T1-weighted MR images of 20 healthy subjects and 19 patients with ALS. Four texture features, namely, autocorrelation, sum of squares variance, sum average, and sum variance were computed. Texture features were compared between the groups by statistical parametric mapping and correlated with clinical measures of disability and upper motor neuron dysfunction. Results: Texture features were different in ALS in motor regions including the precentral gyrus and corticospinal tracts. To a lesser extent, changes were also found in the thalamus, cingulate gyrus, and temporal lobe. Texture features in the precentral gyrus correlated with disease duration, and in the corticospinal tract they correlated with finger tapping speed. Conclusions: Changes in MR image textures are present in motor and non-motor regions in ALS and correlate with clinical features. Whole brain texture analysis has potential in providing biomarkers of cerebral degeneration in ALS. PMID:27064416

  14. COMPUTATIONAL MODELING ISSUES IN NEXT GENERATION AIR QUALITY MODELS

    EPA Science Inventory

    EPA's Atmospheric Research and Exposure Assessment Laboratory is leading a major effort to advance urban/regional multi-pollutant air quality modeling through development of a third-generation modeling system, Models-3. he Models-3 system is being developed within a high-performa...

  15. Computational fluid dynamics modeling for emergency preparedness and response

    SciTech Connect

    Lee, R.L.; Albritton, J.R.; Ermak, D.L.; Kim, J.

    1995-02-01

    Computational fluid dynamics (CFD) has (CFD) has played an increasing in the improvement of atmospheric dispersion modeling. This is because many dispersion models are now driven by meteorological fields generated from CFD models or, in numerical weather prediction`s terminology, prognostic models. Whereas most dispersion models typically involve one or a few scalar, uncoupled equations, the prognostic equations are a set of highly-couple equations whose solution requires a significant level of computational power. Recent advances in computer hardware and software have enabled modestly-priced, high performance, workstations to exhibit the equivalent computation power of some mainframes. Thus desktop-class machines that were limited to performing dispersion calculations driven by diagnostic wind fields may now be used to calculate complex flows using prognostic CFD models. The Release and Advisory Capability (ARAC) program at Lawrence Livermore National Laboratory (LLNL) has, for the past several years, taken advantage of the improvements in hardware technology to develop a national emergency response capability based on executing diagnostic models on workstations. Diagnostic models that provide wind fields are, in general, simple to implement, robust and require minimal time for execution. Because these models typically contain little physics beyond mass-conservation, their performance is extremely sensitive to the quantity and quality of input meteorological data and, in spite of their utility, can be applied with confidence to only modestly complex flows. We are now embarking on a development program to incorporate prognostic models to generate, in real-time, the meteorological fields for the dispersion models. In contrast to diagnostic models, prognostic models are physically-based and are capable of incorporating many physical processes to treat highly complex flow scenarios.

  16. Computational modelling of memory retention from synapse to behaviour

    NASA Astrophysics Data System (ADS)

    van Rossum, Mark C. W.; Shippi, Maria

    2013-03-01

    One of our most intriguing mental abilities is the capacity to store information and recall it from memory. Computational neuroscience has been influential in developing models and concepts of learning and memory. In this tutorial review we focus on the interplay between learning and forgetting. We discuss recent advances in the computational description of the learning and forgetting processes on synaptic, neuronal, and systems levels, as well as recent data that open up new challenges for statistical physicists.

  17. Identification of Computational and Experimental Reduced-Order Models

    NASA Technical Reports Server (NTRS)

    Silva, Walter A.; Hong, Moeljo S.; Bartels, Robert E.; Piatak, David J.; Scott, Robert C.

    2003-01-01

    The identification of computational and experimental reduced-order models (ROMs) for the analysis of unsteady aerodynamic responses and for efficient aeroelastic analyses is presented. For the identification of a computational aeroelastic ROM, the CFL3Dv6.0 computational fluid dynamics (CFD) code is used. Flutter results for the AGARD 445.6 Wing and for a Rigid Semispan Model (RSM) computed using CFL3Dv6.0 are presented, including discussion of associated computational costs. Modal impulse responses of the unsteady aerodynamic system are computed using the CFL3Dv6.0 code and transformed into state-space form. The unsteady aerodynamic state-space ROM is then combined with a state-space model of the structure to create an aeroelastic simulation using the MATLAB/SIMULINK environment. The MATLAB/SIMULINK ROM is then used to rapidly compute aeroelastic transients, including flutter. The ROM shows excellent agreement with the aeroelastic analyses computed using the CFL3Dv6.0 code directly. For the identification of experimental unsteady pressure ROMs, results are presented for two configurations: the RSM and a Benchmark Supercritical Wing (BSCW). Both models were used to acquire unsteady pressure data due to pitching oscillations on the Oscillating Turntable (OTT) system at the Transonic Dynamics Tunnel (TDT). A deconvolution scheme involving a step input in pitch and the resultant step response in pressure, for several pressure transducers, is used to identify the unsteady pressure impulse responses. The identified impulse responses are then used to predict the pressure responses due to pitching oscillations at several frequencies. Comparisons with the experimental data are then presented.

  18. Special Issue: Big data and predictive computational modeling

    NASA Astrophysics Data System (ADS)

    Koutsourelakis, P. S.; Zabaras, N.; Girolami, M.

    2016-09-01

    The motivation for this special issue stems from the symposium on "Big Data and Predictive Computational Modeling" that took place at the Institute for Advanced Study, Technical University of Munich, during May 18-21, 2015. With a mindset firmly grounded in computational discovery, but a polychromatic set of viewpoints, several leading scientists, from physics and chemistry, biology, engineering, applied mathematics, scientific computing, neuroscience, statistics and machine learning, engaged in discussions and exchanged ideas for four days. This special issue contains a subset of the presentations. Video and slides of all the presentations are available on the TUM-IAS website http://www.tum-ias.de/bigdata2015/.

  19. A computational approach to developing mathematical models of polyploid meiosis.

    PubMed

    Rehmsmeier, Marc

    2013-04-01

    Mathematical models of meiosis that relate offspring to parental genotypes through parameters such as meiotic recombination frequency have been difficult to develop for polyploids. Existing models have limitations with respect to their analytic potential, their compatibility with insights into mechanistic aspects of meiosis, and their treatment of model parameters in terms of parameter dependencies. In this article I put forward a computational approach to the probabilistic modeling of meiosis. A computer program enumerates all possible paths through the phases of replication, pairing, recombination, and segregation, while keeping track of the probabilities of the paths according to the various parameters involved. Probabilities for classes of genotypes or phenotypes are added, and the resulting formulas are simplified by the symbolic-computation system Mathematica. An example application to autotetraploids results in a model that remedies the limitations of previous models mentioned above. In addition to the immediate implications, the computational approach presented here can be expected to be useful through opening avenues for modeling a host of processes, including meiosis in higher-order ploidies. PMID:23335332

  20. Practical Use of Computationally Frugal Model Analysis Methods

    DOE PAGESBeta

    Hill, Mary C.; Kavetski, Dmitri; Clark, Martyn; Ye, Ming; Arabi, Mazdak; Lu, Dan; Foglia, Laura; Mehl, Steffen

    2015-03-21

    Computationally frugal methods of model analysis can provide substantial benefits when developing models of groundwater and other environmental systems. Model analysis includes ways to evaluate model adequacy and to perform sensitivity and uncertainty analysis. Frugal methods typically require 10s of parallelizable model runs; their convenience allows for other uses of the computational effort. We suggest that model analysis be posed as a set of questions used to organize methods that range from frugal to expensive (requiring 10,000 model runs or more). This encourages focus on method utility, even when methods have starkly different theoretical backgrounds. We note that many frugalmore » methods are more useful when unrealistic process-model nonlinearities are reduced. Inexpensive diagnostics are identified for determining when frugal methods are advantageous. Examples from the literature are used to demonstrate local methods and the diagnostics. We suggest that the greater use of computationally frugal model analysis methods would allow questions such as those posed in this work to be addressed more routinely, allowing the environmental sciences community to obtain greater scientific insight from the many ongoing and future modeling efforts« less

  1. Practical Use of Computationally Frugal Model Analysis Methods

    SciTech Connect

    Hill, Mary C.; Kavetski, Dmitri; Clark, Martyn; Ye, Ming; Arabi, Mazdak; Lu, Dan; Foglia, Laura; Mehl, Steffen

    2015-03-21

    Computationally frugal methods of model analysis can provide substantial benefits when developing models of groundwater and other environmental systems. Model analysis includes ways to evaluate model adequacy and to perform sensitivity and uncertainty analysis. Frugal methods typically require 10s of parallelizable model runs; their convenience allows for other uses of the computational effort. We suggest that model analysis be posed as a set of questions used to organize methods that range from frugal to expensive (requiring 10,000 model runs or more). This encourages focus on method utility, even when methods have starkly different theoretical backgrounds. We note that many frugal methods are more useful when unrealistic process-model nonlinearities are reduced. Inexpensive diagnostics are identified for determining when frugal methods are advantageous. Examples from the literature are used to demonstrate local methods and the diagnostics. We suggest that the greater use of computationally frugal model analysis methods would allow questions such as those posed in this work to be addressed more routinely, allowing the environmental sciences community to obtain greater scientific insight from the many ongoing and future modeling efforts

  2. The GOURD model of human-computer interaction

    SciTech Connect

    Goldbogen, G.

    1996-12-31

    This paper presents a model, the GOURD model, that can be used to measure the goodness of {open_quotes}interactivity{close_quotes} of an interface design and qualifies how to improve the design. The GOURD model describes what happens to the computer and to the human during a human-computer interaction. Since the interaction is generally repeated, the traversal of the model repeatedly is similar to a loop programming structure. Because the model measures interaction over part or all of the application, it can also be used as a classifier of the part or the whole application. But primarily, the model is used as a design guide and a predictor of effectiveness.

  3. A Whole-Cell Computational Model Predicts Phenotype from Genotype

    PubMed Central

    Karr, Jonathan R.; Sanghvi, Jayodita C.; Macklin, Derek N.; Gutschow, Miriam V.; Jacobs, Jared M.; Bolival, Benjamin; Assad-Garcia, Nacyra; Glass, John I.; Covert, Markus W.

    2012-01-01

    SUMMARY Understanding how complex phenotypes arise from individual molecules and their interactions is a primary challenge in biology that computational approaches are poised to tackle. We report a whole-cell computational model of the life cycle of the human pathogen Mycoplasma genitalium that includes all of its molecular components and their interactions. An integrative approach to modeling that combines diverse mathematics enabled the simultaneous inclusion of fundamentally different cellular processes and experimental measurements. Our whole-cell model accounts for all annotated gene functions and was validated against a broad range of data. The model provides insights into many previously unobserved cellular behaviors, including in vivo rates of protein-DNA association and an inverse relationship between the durations of DNA replication initiation and replication rates. In addition, experimental analysis directed by model predictions identified previously undetected kinetic parameters and biological functions. We conclude that comprehensive whole-cell models can be used to facilitate biological discovery. PMID:22817898

  4. Using GPUs to Meet Next Generation Weather Model Computational Requirements

    NASA Astrophysics Data System (ADS)

    Govett, M.; Hart, L.; Henderson, T.; Middlecoff, J.; Tierney, C.

    2008-12-01

    Weather prediction goals within the Earth Science Research Laboratory at NOAA require significant increases in model resolution (~1 km) and forecast durations (~60 days) to support expected requirements in 5 years or less. However, meeting these goals will likely require at least 100k dedicated cores. Few systems will exist that could even run such a large problem, much less house a facility that could provide the necessary power and cooling requirements. To meet our goals we are exploring alternative technologies, including Graphics Processing Units (GPU), that could provide significantly more computational performance and reduced power and cooling requirements, at a lower cost than traditional high-performance computing solutions. Our current global numerical weather prediction model, the Flow following finite-volume Isocahedral Model (FIM, http://fim.noaa.gov), is still early in its development but is already demonstrating good fidelity and excellent scalability to 1000s of cores. The icosahedral grid has several complexities not present in more traditional Cartesian grids including polygons with different numbers of sides (five and six) and non-trivial computation of locations of neighboring grid cells. FIM uses an indirect addressing scheme that yields very compact code despite these complexities. We have extracted computational kernels that encompass functions likely to take the most time at higher resolutions including all that have horizontal dependencies. Kernels implement equations for computing anti-diffusive flux-corrected transport across cell edges, calculating forcing terms and time-step differencing, and re-computing time-dependent vertical coordinates. We are extending these kernels to explore performance of GPU-specific optimizations. We will present initial performance results from the computational kernels of the FIM model, as well as the challenges related to porting code with indirect memory references to the NVIDIA GPUs. Results of this

  5. A computer simulation model to compute the radiation transfer of mountainous regions

    NASA Astrophysics Data System (ADS)

    Li, Yuguang; Zhao, Feng; Song, Rui

    2011-11-01

    In mountainous regions, the radiometric signal recorded at the sensor depends on a number of factors such as sun angle, atmospheric conditions, surface cover type, and topography. In this paper, a computer simulation model of radiation transfer is designed and evaluated. This model implements the Monte Carlo ray-tracing techniques and is specifically dedicated to the study of light propagation in mountainous regions. The radiative processes between sun light and the objects within the mountainous region are realized by using forward Monte Carlo ray-tracing methods. The performance of the model is evaluated through detailed comparisons with the well-established 3D computer simulation model: RGM (Radiosity-Graphics combined Model) based on the same scenes and identical spectral parameters, which shows good agreements between these two models' results. By using the newly developed computer model, series of typical mountainous scenes are generated to analyze the physical mechanism of mountainous radiation transfer. The results show that the effects of the adjacent slopes are important for deep valleys and they particularly affect shadowed pixels, and the topographic effect needs to be considered in mountainous terrain before accurate inferences from remotely sensed data can be made.

  6. Evaluation of a Computational Model of Situational Awareness

    NASA Technical Reports Server (NTRS)

    Burdick, Mark D.; Shively, R. Jay; Rutkewski, Michael (Technical Monitor)

    2000-01-01

    Although the use of the psychological construct of situational awareness (SA) assists researchers in creating a flight environment that is safer and more predictable, its true potential remains untapped until a valid means of predicting SA a priori becomes available. Previous work proposed a computational model of SA (CSA) that sought to Fill that void. The current line of research is aimed at validating that model. The results show that the model accurately predicted SA in a piloted simulation.

  7. 3-dimensional wells and tunnels for finite element grids

    SciTech Connect

    Cherry, T.A.; Gable, C.W.; Trease, H.

    1996-12-31

    Modeling fluid, vapor, and air injection and extraction from wells poses a number of problems. The length scale of well bores is centimeters, the region of high pressure gradient may be tens of meters and the reservoir may be tens of kilometers. Furthermore, accurate representation of the path of a deviated well can be difficult. Incorporating the physics of injection and extraction can be made easier and more accurate with automated grid generation tools that incorporate wells as part of a background mesh that represents the reservoir. GEOMESH is a modeling tool developed for automating finite element grid generation. This tool maintains the geometric integrity of the geologic framework and produces optimal (Delaunay) tetrahedral grids. GEOMESH creates a 3D well as hexagonal segments formed along the path of the well. This well structure is tetrahedralized into a Delaunay mesh and then embedded into a background mesh. The well structure can be radially or vertically refined and each well layer is assigned a material property or can take on the material properties of the surrounding stratigraphy. The resulting embedded well can then be used by unstructured finite element models for gas and fluid flow in the vicinity of wells or tunnels. This 3D well representation allows the study of the free-surface of the well and surrounding stratigraphy. It reduces possible grid orientation effects, and allows better correlation between well sample data and the geologic model. The well grids also allow improved visualization for well and tunnel model analysis. 3D observation of the grids helps qualitative interpretation and can reveal features not apparent in fewer dimensions.

  8. 3-dimensional wells and tunnels for finite element grids

    SciTech Connect

    Cherry, T.A.; Gable, C.W.; Trease, H.

    1996-04-01

    Modeling fluid, vapor, and air injection and extraction from wells poses a number of problems. The length scale of well bores is centimeters, the region of high pressure gradient may be tens of meters and the reservoir may be tens of kilometers. Furthermore, accurate representation of the path of a deviated well can be difficult. Incorporating the physics of injection and extraction can be made easier and more accurate with automated grid generation tools that incorporate wells as part of a background mesh that represents the reservoir. GEOMESH is a modeling tool developed for automating finite element grid generation. This tool maintains the geometric integrity of the geologic framework and produces optimal (Delaunay) tetrahedral grids. GEOMESH creates a 3D well as hexagonal segments formed along the path of the well. This well structure is tetrahedralized into a Delaunay mesh and then embedded into a background mesh. The well structure can be radially or vertically refined and each well layer is assigned a material property or can take on the material properties of the surrounding stratigraphy. The resulting embedded well can then be used by unstructured finite element models for gas and fluid flow in the vicinity of wells or tunnels. This 3D well representation allows the study of the free- surface of the well and surrounding stratigraphy. It reduces possible grid orientation effects, and allows better correlation between well sample data and the geologic model. The well grids also allow improved visualization for well and tunnel model analysis. 3D observation of the grids helps qualitative interpretation and can reveal features not apparent in fewer dimensions.

  9. Partial hyperbolicity and attracting regions in 3-dimensional manifolds

    NASA Astrophysics Data System (ADS)

    Potrie, Rafael

    The need for reliable, fiber-based sources of entangled and paired photons has intensified in recent years because of potential uses in optical quantum communication and computing. In particular, indistinguishable photon sources are an inherent part of several quantum communication protocols and are needed to establish the viability of quantum communication networks. This thesis is centered around the development of such sources at telecommunication-band wavelengths. In this thesis, we describe experiments on entangled photon generation and the creation of quantum logic gates in the C-band, and on photon indistinguishability in the O-band. These experiments utilize the four-wave mixing process in fiber which occurs as a result of the Kerr nonlinearity, to create paired photons. To begin, we report the development of a source of 1550-nm polarization entangled photons in fiber. We then interface this source with a quantum Controlled-NOT gate, which is a universal quantum logic gate. We set experimental bounds on the process fidelity of the Controlled-NOT gate. Next, we report a demonstration of quantum interference between 1310-nm photons produced in independent sources. We demonstrate high quantum interference visibility, a signature of quantum indistinguishability, while using distinguishable pump photons. Together, these efforts constitute preliminary steps toward establishing the viability of fiber-based quantum communication, which will allow us to utilize existing infrastructure for implementing quantum communication protocols.

  10. Virtual Cell: computational tools for modeling in cell biology

    PubMed Central

    Resasco, Diana C.; Gao, Fei; Morgan, Frank; Novak, Igor L.; Schaff, James C.; Slepchenko, Boris M.

    2011-01-01

    The Virtual Cell (VCell) is a general computational framework for modeling physico-chemical and electrophysiological processes in living cells. Developed by the National Resource for Cell Analysis and Modeling at the University of Connecticut Health Center, it provides automated tools for simulating a wide range of cellular phenomena in space and time, both deterministically and stochastically. These computational tools allow one to couple electrophysiology and reaction kinetics with transport mechanisms, such as diffusion and directed transport, and map them onto spatial domains of various shapes, including irregular three-dimensional geometries derived from experimental images. In this article, we review new robust computational tools recently deployed in VCell for treating spatially resolved models. PMID:22139996

  11. Computational Motion Phantoms and Statistical Models of Respiratory Motion

    NASA Astrophysics Data System (ADS)

    Ehrhardt, Jan; Klinder, Tobias; Lorenz, Cristian

    Breathing motion is not a robust and 100 % reproducible process, and inter- and intra-fractional motion variations form an important problem in radiotherapy of the thorax and upper abdomen. A widespread consensus nowadays exists that it would be useful to use prior knowledge about respiratory organ motion and its variability to improve radiotherapy planning and treatment delivery. This chapter discusses two different approaches to model the variability of respiratory motion. In the first part, we review computational motion phantoms, i.e. computerized anatomical and physiological models. Computational phantoms are excellent tools to simulate and investigate the effects of organ motion in radiation therapy and to gain insight into methods for motion management. The second part of this chapter discusses statistical modeling techniques to describe the breathing motion and its variability in a population of 4D images. Population-based models can be generated from repeatedly acquired 4D images of the same patient (intra-patient models) and from 4D images of different patients (inter-patient models). The generation of those models is explained and possible applications of those models for motion prediction in radiotherapy are exemplified. Computational models of respiratory motion and motion variability have numerous applications in radiation therapy, e.g. to understand motion effects in simulation studies, to develop and evaluate treatment strategies or to introduce prior knowledge into the patient-specific treatment planning.

  12. A computational model of the human visual cortex

    NASA Astrophysics Data System (ADS)

    Albus, James S.

    2008-04-01

    The brain is first and foremost a control system that is capable of building an internal representation of the external world, and using this representation to make decisions, set goals and priorities, formulate plans, and control behavior with intent to achieve its goals. The computational model proposed here assumes that this internal representation resides in arrays of cortical columns. More specifically, it models each cortical hypercolumn together with its underlying thalamic nuclei as a Fundamental Computational Unit (FCU) consisting of a frame-like data structure (containing attributes and pointers) plus the computational processes and mechanisms required to maintain it. In sensory-processing areas of the brain, FCUs enable segmentation, grouping, and classification. Pointers stored in FCU frames link pixels and signals to objects and events in situations and episodes that are overlaid with meaning and emotional values. In behavior-generating areas of the brain, FCUs make decisions, set goals and priorities, generate plans, and control behavior. Pointers are used to define rules, grammars, procedures, plans, and behaviors. It is suggested that it may be possible to reverse engineer the human brain at the FCU level of fidelity using nextgeneration massively parallel computer hardware and software. Key Words: computational modeling, human cortex, brain modeling, reverse engineering the brain, image processing, perception, segmentation, knowledge representation

  13. Reliability modeling of fault-tolerant computer based systems

    NASA Technical Reports Server (NTRS)

    Bavuso, Salvatore J.

    1987-01-01

    Digital fault-tolerant computer-based systems have become commonplace in military and commercial avionics. These systems hold the promise of increased availability, reliability, and maintainability over conventional analog-based systems through the application of replicated digital computers arranged in fault-tolerant configurations. Three tightly coupled factors of paramount importance, ultimately determining the viability of these systems, are reliability, safety, and profitability. Reliability, the major driver affects virtually every aspect of design, packaging, and field operations, and eventually produces profit for commercial applications or increased national security. However, the utilization of digital computer systems makes the task of producing credible reliability assessment a formidable one for the reliability engineer. The root of the problem lies in the digital computer's unique adaptability to changing requirements, computational power, and ability to test itself efficiently. Addressed here are the nuances of modeling the reliability of systems with large state sizes, in the Markov sense, which result from systems based on replicated redundant hardware and to discuss the modeling of factors which can reduce reliability without concomitant depletion of hardware. Advanced fault-handling models are described and methods of acquiring and measuring parameters for these models are delineated.

  14. Computational ocean acoustics: Advances in 3D ocean acoustic modeling

    NASA Astrophysics Data System (ADS)

    Schmidt, Henrik; Jensen, Finn B.

    2012-11-01

    The numerical model of ocean acoustic propagation developed in the 1980's are still in widespread use today, and the field of computational ocean acoustics is often considered a mature field. However, the explosive increase in computational power available to the community has created opportunities for modeling phenomena that earlier were beyond reach. Most notably, three-dimensional propagation and scattering problems have been prohibitive computationally, but are now addressed routinely using brute force numerical approaches such as the Finite Element Method, in particular for target scattering problems, where they are being combined with the traditional wave theory propagation models in hybrid modeling frameworks. Also, recent years has seen the development of hybrid approaches coupling oceanographic circulation models with acoustic propagation models, enabling the forecasting of sonar performance uncertainty in dynamic ocean environments. These and other advances made over the last couple of decades support the notion that the field of computational ocean acoustics is far from being mature. [Work supported by the Office of Naval Research, Code 321OA].

  15. Optimal control of a delayed SLBS computer virus model

    NASA Astrophysics Data System (ADS)

    Chen, Lijuan; Hattaf, Khalid; Sun, Jitao

    2015-06-01

    In this paper, a delayed SLBS computer virus model is firstly proposed. To the best of our knowledge, this is the first time to discuss the optimal control of the SLBS model. By using the optimal control strategy, we present an optimal strategy to minimize the total number of the breakingout computers and the cost associated with toxication or detoxication. We show that an optimal control solution exists for the control problem. Some examples are presented to show the efficiency of this optimal control.

  16. Mathematical modelling in the computer-aided process planning

    NASA Astrophysics Data System (ADS)

    Mitin, S.; Bochkarev, P.

    2016-04-01

    This paper presents new approaches to organization of manufacturing preparation and mathematical models related to development of the computer-aided multi product process planning (CAMPP) system. CAMPP system has some peculiarities compared to the existing computer-aided process planning (CAPP) systems: fully formalized developing of the machining operations; a capacity to create and to formalize the interrelationships among design, process planning and process implementation; procedures for consideration of the real manufacturing conditions. The paper describes the structure of the CAMPP system and shows the mathematical models and methods to formalize the design procedures.

  17. Computational nanomedicine: modeling of nanoparticle-mediated hyperthermal cancer therapy

    PubMed Central

    Kaddi, Chanchala D; Phan, John H; Wang, May D

    2016-01-01

    Nanoparticle-mediated hyperthermia for cancer therapy is a growing area of cancer nanomedicine because of the potential for localized and targeted destruction of cancer cells. Localized hyperthermal effects are dependent on many factors, including nanoparticle size and shape, excitation wavelength and power, and tissue properties. Computational modeling is an important tool for investigating and optimizing these parameters. In this review, we focus on computational modeling of magnetic and gold nanoparticle-mediated hyperthermia, followed by a discussion of new opportunities and challenges. PMID:23914967

  18. A mathematical model of a computational problem solving system

    NASA Astrophysics Data System (ADS)

    Aris, Teh Noranis Mohd; Nazeer, Shahrin Azuan

    2015-05-01

    This paper presents a mathematical model based on fuzzy logic for a computational problem solving system. The fuzzy logic uses truth degrees as a mathematical model to represent vague algorithm. The fuzzy logic mathematical model consists of fuzzy solution and fuzzy optimization modules. The algorithm is evaluated based on a software metrics calculation that produces the fuzzy set membership. The fuzzy solution mathematical model is integrated in the fuzzy inference engine that predicts various solutions to computational problems. The solution is extracted from a fuzzy rule base. Then, the solutions are evaluated based on a software metrics calculation that produces the level of fuzzy set membership. The fuzzy optimization mathematical model is integrated in the recommendation generation engine that generate the optimize solution.

  19. Computational approaches to parameter estimation and model selection in immunology

    NASA Astrophysics Data System (ADS)

    Baker, C. T. H.; Bocharov, G. A.; Ford, J. M.; Lumb, P. M.; Norton, S. J.; Paul, C. A. H.; Junt, T.; Krebs, P.; Ludewig, B.

    2005-12-01

    One of the significant challenges in biomathematics (and other areas of science) is to formulate meaningful mathematical models. Our problem is to decide on a parametrized model which is, in some sense, most likely to represent the information in a set of observed data. In this paper, we illustrate the computational implementation of an information-theoretic approach (associated with a maximum likelihood treatment) to modelling in immunology.The approach is illustrated by modelling LCMV infection using a family of models based on systems of ordinary differential and delay differential equations. The models (which use parameters that have a scientific interpretation) are chosen to fit data arising from experimental studies of virus-cytotoxic T lymphocyte kinetics; the parametrized models that result are arranged in a hierarchy by the computation of Akaike indices. The practical illustration is used to convey more general insight. Because the mathematical equations that comprise the models are solved numerically, the accuracy in the computation has a bearing on the outcome, and we address this and other practical details in our discussion.

  20. Modeling and Computer Simulation: Molecular Dynamics and Kinetic Monte Carlo

    SciTech Connect

    Wirth, B.D.; Caturla, M.J.; Diaz de la Rubia, T.

    2000-10-10

    Recent years have witnessed tremendous advances in the realistic multiscale simulation of complex physical phenomena, such as irradiation and aging effects of materials, made possible by the enormous progress achieved in computational physics for calculating reliable, yet tractable interatomic potentials and the vast improvements in computational power and parallel computing. As a result, computational materials science is emerging as an important complement to theory and experiment to provide fundamental materials science insight. This article describes the atomistic modeling techniques of molecular dynamics (MD) and kinetic Monte Carlo (KMC), and an example of their application to radiation damage production and accumulation in metals. It is important to note at the outset that the primary objective of atomistic computer simulation should be obtaining physical insight into atomic-level processes. Classical molecular dynamics is a powerful method for obtaining insight about the dynamics of physical processes that occur on relatively short time scales. Current computational capability allows treatment of atomic systems containing as many as 10{sup 9} atoms for times on the order of 100 ns (10{sup -7}s). The main limitation of classical MD simulation is the relatively short times accessible. Kinetic Monte Carlo provides the ability to reach macroscopic times by modeling diffusional processes and time-scales rather than individual atomic vibrations. Coupling MD and KMC has developed into a powerful, multiscale tool for the simulation of radiation damage in metals.