DOE Office of Scientific and Technical Information (OSTI.GOV)

Raugei, Simone; DuBois, Daniel L.; Rousseau, Roger J.

Rational design of molecular catalysts requires a systematic approach to designing ligands with specific functionality and precisely tailored electronic and steric properties. It then becomes possible to devise computer protocols to predict accurately the required properties and ultimately to design catalysts by computer. In this account we first review how thermodynamic properties such as oxidation-reduction potentials (E0), acidities (pKa), and hydride donor abilities (ΔGH-) form the basis for a systematic design of molecular catalysts for reactions that are critical for a secure energy future (hydrogen evolution and oxidation, oxygen and nitrogen reduction, and carbon dioxide reduction). We highlight how densitymore » functional theory allows us to determine and predict these properties within “chemical” accuracy (~ 0.06 eV for redox potentials, ~ 1 pKa unit for pKa values, and ~ 1.5 kcal/mol for hydricities). These quantities determine free energy maps and profiles associated with catalytic cycles, i.e. the relative energies of intermediates, and help us distinguish between desirable and high-energy pathways and mechanisms. Good catalysts have flat profiles that avoid high activation barriers due to low and high energy intermediates. We illustrate how the criterion of a flat energy profile lends itself to the prediction of design points by computer for optimum catalysts. This research was carried out in the Center for Molecular Electro-catalysis, an Energy Frontier Research Center funded by the U.S. Department of Energy (DOE), Office of Science, Office of Basic Energy Sciences. Pacific Northwest National Laboratory (PNNL) is operated for the DOE by Battelle.« less

Theoretical Heterogeneous Catalysis: Scaling Relationships and Computational Catalyst Design.

PubMed

Greeley, Jeffrey

2016-06-07

Scaling relationships are theoretical constructs that relate the binding energies of a wide variety of catalytic intermediates across a range of catalyst surfaces. Such relationships are ultimately derived from bond order conservation principles that were first introduced several decades ago. Through the growing power of computational surface science and catalysis, these concepts and their applications have recently begun to have a major impact in studies of catalytic reactivity and heterogeneous catalyst design. In this review, the detailed theory behind scaling relationships is discussed, and the existence of these relationships for catalytic materials ranging from pure metal to oxide surfaces, for numerous classes of molecules, and for a variety of catalytic surface structures is described. The use of the relationships to understand and elucidate reactivity trends across wide classes of catalytic surfaces and, in some cases, to predict optimal catalysts for certain chemical reactions, is explored. Finally, the observation that, in spite of the tremendous power of scaling relationships, their very existence places limits on the maximum rates that may be obtained for the catalyst classes in question is discussed, and promising strategies are explored to overcome these limitations to usher in a new era of theory-driven catalyst design.

Computer Instructional Aids for Undergraduate Control Education.

ERIC Educational Resources Information Center

Volz, Richard A.; And Others

Engineering is coming to rely more and more heavily upon the computer for computations, analyses, and graphic displays which aid the design process. A general purpose simulation system, the Time-shared Automatic Control Laboratory (TACL), and a set of computer-aided design programs, Control Oriented Interactive Graphic Analysis and Design…

Inventing and improving ribozyme function: rational design versus iterative selection methods

NASA Technical Reports Server (NTRS)

Breaker, R. R.; Joyce, G. F.

1994-01-01

Two major strategies for generating novel biological catalysts exist. One relies on our knowledge of biopolymer structure and function to aid in the 'rational design' of new enzymes. The other, often called 'irrational design', aims to generate new catalysts, in the absence of detailed physicochemical knowledge, by using selection methods to search a library of molecules for functional variants. Both strategies have been applied, with considerable success, to the remodeling of existing ribozymes and the development of ribozymes with novel catalytic function. The two strategies are by no means mutually exclusive, and are best applied in a complementary fashion to obtain ribozymes with the desired catalytic properties.

The Effects of Computer-Aided Design Software on Engineering Students' Spatial Visualisation Skills

ERIC Educational Resources Information Center

Kösa, Temel; Karakus, Fatih

2018-01-01

The purpose of this study was to determine the influence of computer-aided design (CAD) software-based instruction on the spatial visualisation skills of freshman engineering students in a computer-aided engineering drawing course. A quasi-experimental design was applied, using the Purdue Spatial Visualization Test-Visualization of Rotations…

Photogrammetry and computer-aided piping design

DOE Office of Scientific and Technical Information (OSTI.GOV)

Keneflick, J.F.; Chirillo, R.D.

1985-02-18

Three-dimensional measurements taken from photographs of a plant model can be digitized and linked with computer-aided piping design. This can short-cut the design and construction of new plants and expedite repair and retrofitting projects. Some designers bridge the gap between model and computer by digitizing from orthographic prints obtained via orthography or the laser scanning of model sections. Such valve or fitting then processed is described in this paper. The marriage of photogrammetry and computer-aided piping design can economically produce such numerical drawings.

A computer program for the design of optimum catalytic monoliths for CO2 lasers

NASA Technical Reports Server (NTRS)

Guinn, K.; Goldblum, S.; Noskowski, E.; Herz, R.

1990-01-01

Pulsed CO2 lasers have many applications in aeronautics, space research, weather monitoring and other areas. Full exploitation of the potential of these lasers is hampered by the dissociation of CO2 that occurs during laser operation. The development of closed-cycle CO2 lasers requires active CO-O2 recombination (CO oxidation) catalysts and design methods for implementation of catalysts inside lasers. The performance criteria and constraints involved in the design of catalyst configurations for use in a closed-cycle laser are discussed, and several design studies performed with a computerized design program that was written are presented. Trade-offs between catalyst activity and dimensions, flow channel dimensions, pressure drop, O2 conversion and other variables are discussed.

Recent development on computer aided tissue engineering--a review.

PubMed

Sun, Wei; Lal, Pallavi

2002-02-01

The utilization of computer-aided technologies in tissue engineering has evolved in the development of a new field of computer-aided tissue engineering (CATE). This article reviews recent development and application of enabling computer technology, imaging technology, computer-aided design and computer-aided manufacturing (CAD and CAM), and rapid prototyping (RP) technology in tissue engineering, particularly, in computer-aided tissue anatomical modeling, three-dimensional (3-D) anatomy visualization and 3-D reconstruction, CAD-based anatomical modeling, computer-aided tissue classification, computer-aided tissue implantation and prototype modeling assisted surgical planning and reconstruction.

Three-Dimensional Computational Fluid Dynamics

DOE Office of Scientific and Technical Information (OSTI.GOV)

Haworth, D.C.; O'Rourke, P.J.; Ranganathan, R.

1998-09-01

Computational fluid dynamics (CFD) is one discipline falling under the broad heading of computer-aided engineering (CAE). CAE, together with computer-aided design (CAD) and computer-aided manufacturing (CAM), comprise a mathematical-based approach to engineering product and process design, analysis and fabrication. In this overview of CFD for the design engineer, our purposes are three-fold: (1) to define the scope of CFD and motivate its utility for engineering, (2) to provide a basic technical foundation for CFD, and (3) to convey how CFD is incorporated into engineering product and process design.

Minimalist Design of Allosterically Regulated Protein Catalysts.

PubMed

Makhlynets, O V; Korendovych, I V

2016-01-01

Nature facilitates chemical transformations with exceptional selectivity and efficiency. Despite a tremendous progress in understanding and predicting protein function, the overall problem of designing a protein catalyst for a given chemical transformation is far from solved. Over the years, many design techniques with various degrees of complexity and rational input have been developed. Minimalist approach to protein design that focuses on the bare minimum requirements to achieve activity presents several important advantages. By focusing on basic physicochemical properties and strategic placing of only few highly active residues one can feasibly evaluate in silico a very large variety of possible catalysts. In more general terms minimalist approach looks for the mere possibility of catalysis, rather than trying to identify the most active catalyst possible. Even very basic designs that utilize a single residue introduced into nonenzymatic proteins or peptide bundles are surprisingly active. Because of the inherent simplicity of the minimalist approach computational tools greatly enhance its efficiency. No complex calculations need to be set up and even a beginner can master this technique in a very short time. Here, we present a step-by-step protocol for minimalist design of functional proteins using basic, easily available, and free computational tools. © 2016 Elsevier Inc. All rights reserved.

Manipulating the Geometric Computer-aided Design of the Operational Requirements-based Casualty Assessment Model within BRL-CAD

DTIC Science & Technology

2018-03-30

ARL-TR-8336 ● MAR 2018 US Army Research Laboratory Manipulating the Geometric Computer-aided Design of the Operational...so designated by other authorized documents. Citation of manufacturer’s or trade names does not constitute an official endorsement or approval of...Army Research Laboratory Manipulating the Geometric Computer-aided Design of the Operational Requirements-based Casualty Assessment Model within

Software For Computer-Aided Design Of Control Systems

NASA Technical Reports Server (NTRS)

Wette, Matthew

1994-01-01

Computer Aided Engineering System (CAESY) software developed to provide means to evaluate methods for dealing with users' needs in computer-aided design of control systems. Interpreter program for performing engineering calculations. Incorporates features of both Ada and MATLAB. Designed to be flexible and powerful. Includes internally defined functions, procedures and provides for definition of functions and procedures by user. Written in C language.

ECUT: Energy Conversion and Utilization Technologies program. Heterogeneous catalysis modeling program concept

NASA Technical Reports Server (NTRS)

Voecks, G. E.

1983-01-01

Insufficient theoretical definition of heterogeneous catalysts is the major difficulty confronting industrial suppliers who seek catalyst systems which are more active, selective, and stable than those currently available. In contrast, progress was made in tailoring homogeneous catalysts to specific reactions because more is known about the reaction intermediates promoted and/or stabilized by these catalysts during the course of reaction. However, modeling heterogeneous catalysts on a microscopic scale requires compiling and verifying complex information on reaction intermediates and pathways. This can be achieved by adapting homogeneous catalyzed reaction intermediate species, applying theoretical quantum chemistry and computer technology, and developing a better understanding of heterogeneous catalyst system environments. Research in microscopic reaction modeling is now at a stage where computer modeling, supported by physical experimental verification, could provide information about the dynamics of the reactions that will lead to designing supported catalysts with improved selectivity and stability.

Computational design of an enzyme catalyst for a stereoselective bimolecular Diels-Alder reaction

PubMed Central

Siegel, Justin B.; Zanghellini, Alexandre; Lovick, Helena M.; Kiss, Gert; Lambert, Abigail R.; St.Clair, Jennifer L.; Gallaher, Jasmine L.; Hilvert, Donald; Gelb, Michael H.; Stoddard, Barry L.; Houk, Kendall N.; Michael, Forrest E.; Baker, David

2011-01-01

The Diels-Alder reaction is a cornerstone in organic synthesis, forming two carbon-carbon bonds and up to four new stereogenic centers in one step. No naturally occurring enzymes have been shown to catalyze bimolecular Diels-Alder reactions. We describe the de novo computational design and experimental characterization of enzymes catalyzing a bimolecular Diels-Alder reaction with high stereoselectivity and substrate specificity. X-ray crystallography confirms that the structure matches the design for the most active of the enzymes, and binding site substitutions reprogram the substrate specificity. Designed stereoselective catalysts for carbon-carbon bond forming reactions should be broadly useful in synthetic chemistry. PMID:20647463

Computational design of an enzyme catalyst for a stereoselective bimolecular Diels-Alder reaction.

PubMed

Siegel, Justin B; Zanghellini, Alexandre; Lovick, Helena M; Kiss, Gert; Lambert, Abigail R; St Clair, Jennifer L; Gallaher, Jasmine L; Hilvert, Donald; Gelb, Michael H; Stoddard, Barry L; Houk, Kendall N; Michael, Forrest E; Baker, David

2010-07-16

The Diels-Alder reaction is a cornerstone in organic synthesis, forming two carbon-carbon bonds and up to four new stereogenic centers in one step. No naturally occurring enzymes have been shown to catalyze bimolecular Diels-Alder reactions. We describe the de novo computational design and experimental characterization of enzymes catalyzing a bimolecular Diels-Alder reaction with high stereoselectivity and substrate specificity. X-ray crystallography confirms that the structure matches the design for the most active of the enzymes, and binding site substitutions reprogram the substrate specificity. Designed stereoselective catalysts for carbon-carbon bond-forming reactions should be broadly useful in synthetic chemistry.

Computer Aided Design in Engineering Education.

ERIC Educational Resources Information Center

Gobin, R.

1986-01-01

Discusses the use of Computer Aided Design (CAD) and Computer Aided Manufacturing (CAM) systems in an undergraduate engineering education program. Provides a rationale for CAD/CAM use in the already existing engineering program. Describes the methods used in choosing the systems, some initial results, and warnings for first-time users. (TW)

Computational Elucidation of Selectivities and Mechanisms Performed by Organometallic and Bioinorganic Catalysts

NASA Astrophysics Data System (ADS)

Grandner, Jessica Marie

Computational methods were used to determine the mechanisms and selectivities of organometallic-catalyzed reactions. The first half of the dissertation focuses on the study of metathesis catalysts in collaboration with the Grubbs group at CalTech. Chapter 1 describes the studies of the decomposition modes of several ruthenium-based metathesis catalysts. These studies were performed to better understand the decomposition of such catalysts in order to prevent decomposition (Chapter 1.2) or utilize decomposed catalysts for alternative reactions (Chapter 1.1). Chapter 2.1 describes the computational investigation of the origins of stereoretentive metathesis with ruthenium-based metathesis catalysts. These findings were then used to computationally design E-selective metathesis catalysts (Chapter 2.2). While the first half of the dissertation was centered around ruthenium catalysts, the second half of the dissertation pertains to iron-catalyzed reaction, in particular, iron-catalyzed reactions by P450 enzymes. The elements of Chapter 3 concentrate on the stereo- and chemo-selectivity of P450-catalyzed C-H hydroxylations. By combining multiple computational methods, the inherent activity of the iron-oxo catalyst and the influence of the active site on such reactions were illuminated. These discoveries allow for the engineering of new substrates and mutant enzymes for tailored C-H hydroxylation. While the mechanism of C-H hydroxylations catalyzed by P450 enzymes has been well studied, there are several P450-catalyzed transformations for which the mechanism is unknown. The components of Chapter 4 describe the use of computations to determine the mechanisms of complex, multi-step reactions catalyzed by P450s. The determination of these mechanisms elucidates how these enzymes react with various functional groups and substrate architectures and allows for a better understanding of how drug-like compounds may be broken down by human P450s.

[Clinical skills and outcomes of chair-side computer aided design and computer aided manufacture system].

PubMed

Yu, Q

2018-04-09

Computer aided design and computer aided manufacture (CAD/CAM) technology is a kind of oral digital system which is applied to clinical diagnosis and treatment. It overturns the traditional pattern, and provides a solution to restore defect tooth quickly and efficiently. In this paper we mainly discuss the clinical skills of chair-side CAD/CAM system, including tooth preparation, digital impression, the three-dimensional design of prosthesis, numerical control machining, clinical bonding and so on, and review the outcomes of several common kinds of materials at the same time.

Design of catalytic monoliths for closed-cycle carbon dioxide lasers

NASA Technical Reports Server (NTRS)

Herz, R. K.; Guinn, K.; Goldblum, S.; Noskowski, E.

1989-01-01

Pulsed carbon dioxide (CO2) lasers have many applications in aeronautics, space research, weather monitoring and other areas. Full exploitation of the potential of these lasers in hampered by the dissociation of CO2 that occurs during laser operation. The development of closed-cycle CO2 lasers requires active CO-O2 recombination (CO oxidation) catalyst and design methods for implementation of catalysts in CO2 laser systems. A monolith catalyst section model and associated design computer program, LASCAT, are presented to assist in the design of a monolith catalyst section of a closed cycle CO2 laser system. Using LASCAT,the designer is able to specify a number of system parameters and determine the monolith section performance. Trade-offs between the catalyst activity, catalyst dimensions, monolith dimensions, pressure drop, O2 conversion, and other variables can be explored and adjusted to meet system design specifications. An introduction describes a typical closed-cycle CO2 system, and indicates some advantages of a closed cycle laser system over an open cycle system and some advantages of monolith support over other types of supports. The development and use of a monolith catalyst model is presented. The results of a design study and a discussion of general design rules are given.

Computer-Aided Facilities Management Systems (CAFM).

ERIC Educational Resources Information Center

Cyros, Kreon L.

Computer-aided facilities management (CAFM) refers to a collection of software used with increasing frequency by facilities managers. The six major CAFM components are discussed with respect to their usefulness and popularity in facilities management applications: (1) computer-aided design; (2) computer-aided engineering; (3) decision support…

Computer Aided Drug Design: Success and Limitations.

PubMed

Baig, Mohammad Hassan; Ahmad, Khurshid; Roy, Sudeep; Ashraf, Jalaluddin Mohammad; Adil, Mohd; Siddiqui, Mohammad Haris; Khan, Saif; Kamal, Mohammad Amjad; Provazník, Ivo; Choi, Inho

2016-01-01

Over the last few decades, computer-aided drug design has emerged as a powerful technique playing a crucial role in the development of new drug molecules. Structure-based drug design and ligand-based drug design are two methods commonly used in computer-aided drug design. In this article, we discuss the theory behind both methods, as well as their successful applications and limitations. To accomplish this, we reviewed structure based and ligand based virtual screening processes. Molecular dynamics simulation, which has become one of the most influential tool for prediction of the conformation of small molecules and changes in their conformation within the biological target, has also been taken into account. Finally, we discuss the principles and concepts of molecular docking, pharmacophores and other methods used in computer-aided drug design.

Teaching Computer-Aided Design of Fluid Flow and Heat Transfer Engineering Equipment.

ERIC Educational Resources Information Center

Gosman, A. D.; And Others

1979-01-01

Describes a teaching program for fluid mechanics and heat transfer which contains both computer aided learning (CAL) and computer aided design (CAD) components and argues that the understanding of the physical and numerical modeling taught in the CAL course is essential to the proper implementation of CAD. (Author/CMV)

de novo computational enzyme design.

PubMed

Zanghellini, Alexandre

2014-10-01

Recent advances in systems and synthetic biology as well as metabolic engineering are poised to transform industrial biotechnology by allowing us to design cell factories for the sustainable production of valuable fuels and chemicals. To deliver on their promises, such cell factories, as much as their brick-and-mortar counterparts, will require appropriate catalysts, especially for classes of reactions that are not known to be catalyzed by enzymes in natural organisms. A recently developed methodology, de novo computational enzyme design can be used to create enzymes catalyzing novel reactions. Here we review the different classes of chemical reactions for which active protein catalysts have been designed as well as the results of detailed biochemical and structural characterization studies. We also discuss how combining de novo computational enzyme design with more traditional protein engineering techniques can alleviate the shortcomings of state-of-the-art computational design techniques and create novel enzymes with catalytic proficiencies on par with natural enzymes. Copyright © 2014 Elsevier Ltd. All rights reserved.

New insights into non-precious metal catalyst layer designs for proton exchange membrane fuel cells: Improving performance and stability

NASA Astrophysics Data System (ADS)

Banham, Dustin; Kishimoto, Takeaki; Sato, Tetsutaro; Kobayashi, Yoshikazu; Narizuka, Kumi; Ozaki, Jun-ichi; Zhou, Yingjie; Marquez, Emil; Bai, Kyoung; Ye, Siyu

2017-03-01

The activity of non-precious metal catalysts (NPMCs) has now reached a stage at which they can be considered as possible alternatives to Pt for some proton exchange membrane fuel cell (PEMFC) applications. However, despite significant efforts over the past 50 years on catalyst development, only limited studies have been performed on NPMC-based cathode catalyst layer (CCL) designs. In this work, an extensive ionomer study is performed to investigate the impact of ionomer equivalent weight on performance, which has uncovered two crucial findings. Firstly, it is demonstrated that beyond a critical CCL conductance, no further improvement in performance is observed. The procedure used to determine this critical conductance can be used by other researchers in this field to aid in their design of high performing NPMC-based CCLs. Secondly, it is shown that the stability of NPMC-based CCLs can be improved through the use of low equivalent weight ionomers. This represents a completely unexplored pathway for further stability improvements, and also provides new insights into the possible degradation mechanisms occurring in NPMC-based CCLs. These findings have broad implications on all future NPMC-based CCL designs.

[Development of computer aided forming techniques in manufacturing scaffolds for bone tissue engineering].

PubMed

Wei, Xuelei; Dong, Fuhui

2011-12-01

To review recent advance in the research and application of computer aided forming techniques for constructing bone tissue engineering scaffolds. The literature concerning computer aided forming techniques for constructing bone tissue engineering scaffolds in recent years was reviewed extensively and summarized. Several studies over last decade have focused on computer aided forming techniques for bone scaffold construction using various scaffold materials, which is based on computer aided design (CAD) and bone scaffold rapid prototyping (RP). CAD include medical CAD, STL, and reverse design. Reverse design can fully simulate normal bone tissue and could be very useful for the CAD. RP techniques include fused deposition modeling, three dimensional printing, selected laser sintering, three dimensional bioplotting, and low-temperature deposition manufacturing. These techniques provide a new way to construct bone tissue engineering scaffolds with complex internal structures. With rapid development of molding and forming techniques, computer aided forming techniques are expected to provide ideal bone tissue engineering scaffolds.

Strategies for the Creation, Design and Implementation of Effective Interactive Computer-Aided Learning Software in Numerate Business Subjects--The Byzantium Experience.

ERIC Educational Resources Information Center

Wilkinson-Riddle, G. J.; Patel, Ashok

1998-01-01

Discusses courseware development, including intelligent tutoring systems, under the Teaching and Learning Technology Programme and the Byzantium project that was designed to define computer-aided learning performance standards suitable for numerate business subjects; examine reasons to use computer-aided learning; and improve access to educational…

Enhancing Engineering Computer-Aided Design Education Using Lectures Recorded on the PC

ERIC Educational Resources Information Center

McGrann, Roy T. R.

2006-01-01

Computer-Aided Engineering (CAE) is a course that is required during the third year in the mechanical engineering curriculum at Binghamton University. The primary objective of the course is to educate students in the procedures of computer-aided engineering design. The solid modeling and analysis program Pro/Engineer[TM] (PTC[R]) is used as the…

Computer Assisted Instructional Design for Computer-Based Instruction. Final Report. Working Papers.

ERIC Educational Resources Information Center

Russell, Daniel M.; Pirolli, Peter

Recent advances in artificial intelligence and the cognitive sciences have made it possible to develop successful intelligent computer-aided instructional systems for technical and scientific training. In addition, computer-aided design (CAD) environments that support the rapid development of such computer-based instruction have also been recently…

Perovskites in catalysis and electrocatalysis

NASA Astrophysics Data System (ADS)

Hwang, Jonathan; Rao, Reshma R.; Giordano, Livia; Katayama, Yu; Yu, Yang; Shao-Horn, Yang

2017-11-01

Catalysts for chemical and electrochemical reactions underpin many aspects of modern technology and industry, from energy storage and conversion to toxic emissions abatement to chemical and materials synthesis. This role necessitates the design of highly active, stable, yet earth-abundant heterogeneous catalysts. In this Review, we present the perovskite oxide family as a basis for developing such catalysts for (electro)chemical conversions spanning carbon, nitrogen, and oxygen chemistries. A framework for rationalizing activity trends and guiding perovskite oxide catalyst design is described, followed by illustrations of how a robust understanding of perovskite electronic structure provides fundamental insights into activity, stability, and mechanism in oxygen electrocatalysis. We conclude by outlining how these insights open experimental and computational opportunities to expand the compositional and chemical reaction space for next-generation perovskite catalysts.

Software Tools for Shipbuilding Productivity

DTIC Science & Technology

1984-12-01

shipbuilding, is that design, manufacturing and robotic technology applications to shipbuilding have been proven. all aspects of shipbuilding is now a task...technical information about the process of Computer Aided Design (CAD) and Computer Aided Manufacturing (CAM) effectively has been a problem of serious and...Design (CAD) 3.4.1 CAD System Components 3.4.2 CAD System Benefits 3.4.3 New and Future CAD Technologies Computer Aided Manufacturing (CAM) 3.5.1 CAM

The Research of Computer Aided Farm Machinery Designing Method Based on Ergonomics

NASA Astrophysics Data System (ADS)

Gao, Xiyin; Li, Xinling; Song, Qiang; Zheng, Ying

Along with agricultural economy development, the farm machinery product type Increases gradually, the ergonomics question is also getting more and more prominent. The widespread application of computer aided machinery design makes it possible that farm machinery design is intuitive, flexible and convenient. At present, because the developed computer aided ergonomics software has not suitable human body database, which is needed in view of farm machinery design in China, the farm machinery design have deviation in ergonomics analysis. This article puts forward that using the open database interface procedure in CATIA to establish human body database which aims at the farm machinery design, and reading the human body data to ergonomics module of CATIA can product practical application virtual body, using human posture analysis and human activity analysis module to analysis the ergonomics in farm machinery, thus computer aided farm machinery designing method based on engineering can be realized.

Prosthetic rehabilitation with an implant-supported fixed prosthesis using computer-aided design and computer-aided manufacturing dental technology for a patient with a mandibulectomy: A clinical report.

PubMed

Yoon, Hyung-In; Han, Jung-Suk

2016-02-01

The fabrication of dental prostheses with computer-aided design and computer-aided manufacturing shows acceptable marginal fits and favorable treatment outcomes. This clinical report describes the management of a patient who had undergone a mandibulectomy and received an implant-supported fixed prosthesis by using additive manufacturing for the framework and subtractive manufacturing for the monolithic zirconia restorations. Copyright © 2016 Editorial Council for the Journal of Prosthetic Dentistry. Published by Elsevier Inc. All rights reserved.

WINCADRE (COMPUTER-AIDED DATA REVIEW AND EVALUATION)

EPA Science Inventory

WinCADRE (Computer-Aided Data Review and Evaluation) is a Windows -based program designed for computer-assisted data validation. WinCADRE is a powerful tool which significantly decreases data validation turnaround time. The electronic-data-deliverable format has been designed ...

Defense Acquisitions Acronyms and Terms

DTIC Science & Technology

2012-12-01

Computer-Aided Design CADD Computer-Aided Design and Drafting CAE Component Acquisition Executive; Computer-Aided Engineering CAIV Cost As an...Radiation to Ordnance HFE Human Factors Engineering HHA Health Hazard Assessment HNA Host-Nation Approval HNS Host-Nation Support HOL High -Order...Engineering Change Proposal VHSIC Very High Speed Integrated Circuit VLSI Very Large Scale Integration VOC Volatile Organic Compound W WAN Wide

Computational Modeling of Cobalt-Based Water Oxidation: Current Status and Future Challenges

PubMed Central

Schilling, Mauro; Luber, Sandra

2018-01-01

A lot of effort is nowadays put into the development of novel water oxidation catalysts. In this context, mechanistic studies are crucial in order to elucidate the reaction mechanisms governing this complex process, new design paradigms and strategies how to improve the stability and efficiency of those catalysts. This review is focused on recent theoretical mechanistic studies in the field of homogeneous cobalt-based water oxidation catalysts. In the first part, computational methodologies and protocols are summarized and evaluated on the basis of their applicability toward real catalytic or smaller model systems, whereby special emphasis is laid on the choice of an appropriate model system. In the second part, an overview of mechanistic studies is presented, from which conceptual guidelines are drawn on how to approach novel studies of catalysts and how to further develop the field of computational modeling of water oxidation reactions. PMID:29721491

Heterogeneous catalysis: Enigmas, illusions, challenges, realities, and emergent strategies of design

NASA Astrophysics Data System (ADS)

Thomas, John Meurig

2008-05-01

Predominantly this article deals with the question of how to design new solid catalysts for a variety of industrial and laboratory-orientated purposes. A generally applicable strategy, illustrated by numerous examples, is made possible based on the use of nanoporous materials on to the (high-area) inner surfaces of which well-defined (experimentally and computationally) active centers are placed in a spatially separated fashion. Such single-site catalysts, which have much in common with metal-centered homogenous catalysts and enzymes, enable a wide range of new catalysts to be designed for a variety of selective oxidations, hydrogenations, hydrations and hydrodewaxing, and other reactions that the "greening" of industrial processes demand. Examples are given of new shape-selective, regio-selective, and enantioselective catalysts, many of which operate under mild, environmentally benign conditions. Also considered are some of the reasons why detailed studies of adsorption and stoichiometric reactions at single-crystal surfaces have, disappointingly, not hitherto paved the way to the design and production of many new heterogenous catalysts. Recent work of a theoretical and high-throughout nature, allied to some experimental studies of well-chosen model systems, holds promise for the identification of new catalysts for simple, but industrially important reactions.

System Engineering Concept Demonstration, Effort Summary. Volume 1

DTIC Science & Technology

1992-12-01

involve only the system software, user frameworks and user tools. U •User Tool....s , Catalyst oExternal 00 Computer Framwork P OSystems • •~ Sysytem...analysis, synthesis, optimization, conceptual design of Catalyst. The paper discusses the definition, design, test, and evaluation; operational concept...This approach will allow system engineering The conceptual requirements for the Process Model practitioners to recognize and tailor the model. This

Computer-aided design of the RF-cavity for a high-power S-band klystron

NASA Astrophysics Data System (ADS)

Kant, D.; Bandyopadhyay, A. K.; Pal, D.; Meena, R.; Nangru, S. C.; Joshi, L. M.

2012-08-01

This article describes the computer-aided design of the RF-cavity for a S-band klystron operating at 2856 MHz. State-of-the-art electromagnetic simulation tools SUPERFISH, CST Microwave studio, HFSS and MAGIC have been used for cavity design. After finalising the geometrical details of the cavity through simulation, it has been fabricated and characterised through cold testing. Detailed results of the computer-aided simulation and cold measurements are presented in this article.

Computer aided design of monolithic microwave and millimeter wave integrated circuits and subsystems

NASA Astrophysics Data System (ADS)

Ku, Walter H.; Gang, Guan-Wan; He, J. Q.; Ichitsubo, I.

1988-05-01

This final technical report presents results on the computer aided design of monolithic microwave and millimeter wave integrated circuits and subsystems. New results include analytical and computer aided device models of GaAs MESFETs and HEMTs or MODFETs, new synthesis techniques for monolithic feedback and distributed amplifiers and a new nonlinear CAD program for MIMIC called CADNON. This program incorporates the new MESFET and HEMT model and has been successfully applied to the design of monolithic millimeter-wave mixers.

An Interactive Computer Aided Design and Analysis Package.

DTIC Science & Technology

1986-03-01

Al-A167 114 AN INTERACTIVE COMPUTER AIDED DESIGN MUD ANAILYSIS 1/𔃼 PACKAGE(U) NAVAL POSTGRADUATE SCHOOL NONTEREY CA T L EUALD "AR 86 UNCLSSIFIED F... SCHOOL Monterey, California DTIC .LECTE MAYOS THESIS AN INTERACTIVE COMPUTER AIDED DESIGN AND ANALYSIS PACKAGE by Terrence L. Ewald March 1986 jThesis...ORGANIZATION Naval Postgraduate School (if dAp90h81111) Naval Postgraduate School . 62A 6C. ADDRESS (0ty. State, and ZIP Code) 7b. ADDRESS (City State. and

WINCADRE INORGANIC (WINDOWS COMPUTER-AIDED DATA REVIEW AND EVALUATION)

EPA Science Inventory

WinCADRE (Computer-Aided Data Review and Evaluation) is a Windows -based program designed for computer-assisted data validation. WinCADRE is a powerful tool which significantly decreases data validation turnaround time. The electronic-data-deliverable format has been designed in...

Computing organic stereoselectivity - from concepts to quantitative calculations and predictions.

PubMed

Peng, Qian; Duarte, Fernanda; Paton, Robert S

2016-11-07

Advances in theory and processing power have established computation as a valuable interpretative and predictive tool in the discovery of new asymmetric catalysts. This tutorial review outlines the theory and practice of modeling stereoselective reactions. Recent examples illustrate how an understanding of the fundamental principles and the application of state-of-the-art computational methods may be used to gain mechanistic insight into organic and organometallic reactions. We highlight the emerging potential of this computational tool-box in providing meaningful predictions for the rational design of asymmetric catalysts. We present an accessible account of the field to encourage future synergy between computation and experiment.

Computer Aided Design of Computer Generated Holograms for electron beam fabrication

NASA Technical Reports Server (NTRS)

Urquhart, Kristopher S.; Lee, Sing H.; Guest, Clark C.; Feldman, Michael R.; Farhoosh, Hamid

1989-01-01

Computer Aided Design (CAD) systems that have been developed for electrical and mechanical design tasks are also effective tools for the process of designing Computer Generated Holograms (CGHs), particularly when these holograms are to be fabricated using electron beam lithography. CAD workstations provide efficient and convenient means of computing, storing, displaying, and preparing for fabrication many of the features that are common to CGH designs. Experience gained in the process of designing CGHs with various types of encoding methods is presented. Suggestions are made so that future workstations may further accommodate the CGH design process.

[Key points for esthetic rehabilitation of anterior teeth using chair-side computer aided design and computer aided manufacture technique].

PubMed

Yang, J; Feng, H L

2018-04-09

With the rapid development of the chair-side computer aided design and computer aided manufacture (CAD/CAM) technology, its accuracy and operability of have been greatly improved in recent years. Chair-side CAD/CAM system may produce all kinds of indirect restorations, and has the advantages of rapid, accurate and stable production. It has become the future development direction of Stomatology. This paper describes the clinical application of the chair-side CAD/CAM technology for anterior aesthetic restorations from the aspects of shade and shape.

Computers in Manufacturing.

ERIC Educational Resources Information Center

Hudson, C. A.

1982-01-01

Advances in factory computerization (computer-aided design and computer-aided manufacturing) are reviewed, including discussions of robotics, human factors engineering, and the sociological impact of automation. (JN)

Topology optimization aided structural design: Interpretation, computational aspects and 3D printing.

PubMed

Kazakis, Georgios; Kanellopoulos, Ioannis; Sotiropoulos, Stefanos; Lagaros, Nikos D

2017-10-01

Construction industry has a major impact on the environment that we spend most of our life. Therefore, it is important that the outcome of architectural intuition performs well and complies with the design requirements. Architects usually describe as "optimal design" their choice among a rather limited set of design alternatives, dictated by their experience and intuition. However, modern design of structures requires accounting for a great number of criteria derived from multiple disciplines, often of conflicting nature. Such criteria derived from structural engineering, eco-design, bioclimatic and acoustic performance. The resulting vast number of alternatives enhances the need for computer-aided architecture in order to increase the possibility of arriving at a more preferable solution. Therefore, the incorporation of smart, automatic tools in the design process, able to further guide designer's intuition becomes even more indispensable. The principal aim of this study is to present possibilities to integrate automatic computational techniques related to topology optimization in the phase of intuition of civil structures as part of computer aided architectural design. In this direction, different aspects of a new computer aided architectural era related to the interpretation of the optimized designs, difficulties resulted from the increased computational effort and 3D printing capabilities are covered here in.

Classification of Computer-Aided Design-Computer-Aided Manufacturing Applications for the Reconstruction of Cranio-Maxillo-Facial Defects.

PubMed

Wauters, Lauri D J; Miguel-Moragas, Joan San; Mommaerts, Maurice Y

2015-11-01

To gain insight into the methodology of different computer-aided design-computer-aided manufacturing (CAD-CAM) applications for the reconstruction of cranio-maxillo-facial (CMF) defects. We reviewed and analyzed the available literature pertaining to CAD-CAM for use in CMF reconstruction. We proposed a classification system of the techniques of implant and cutting, drilling, and/or guiding template design and manufacturing. The system consisted of 4 classes (I-IV). These classes combine techniques used for both the implant and template to most accurately describe the methodology used. Our classification system can be widely applied. It should facilitate communication and immediate understanding of the methodology of CAD-CAM applications for the reconstruction of CMF defects.

Nanosheet Supported Single-Metal Atom Bifunctional Catalyst for Overall Water Splitting.

PubMed

Ling, Chongyi; Shi, Li; Ouyang, Yixin; Zeng, Xiao Cheng; Wang, Jinlan

2017-08-09

Nanosheet supported single-atom catalysts (SACs) can make full use of metal atoms and yet entail high selectivity and activity, and bifunctional catalysts can enable higher performance while lowering the cost than two separate unifunctional catalysts. Supported single-atom bifunctional catalysts are therefore of great economic interest and scientific importance. Here, on the basis of first-principles computations, we report a design of the first single-atom bifunctional eletrocatalyst, namely, isolated nickel atom supported on β 12 boron monolayer (Ni 1 /β 12 -BM), to achieve overall water splitting. This nanosheet supported SAC exhibits remarkable electrocatalytic performance with the computed overpotential for oxygen/hydrogen evolution reaction being just 0.40/0.06 V. The ab initio molecular dynamics simulation shows that the SAC can survive up to 800 K elevated temperature, while enacting a high energy barrier of 1.68 eV to prevent isolated Ni atoms from clustering. A viable experimental route for the synthesis of Ni 1 /β 12 -BM SAC is demonstrated from computer simulation. The desired nanosheet supported single-atom bifunctional catalysts not only show great potential for achieving overall water splitting but also offer cost-effective opportunities for advancing clean energy technology.

Computer-aided design of high-frequency transistor amplifiers.

NASA Technical Reports Server (NTRS)

Hsieh, C.-C.; Chan, S.-P.

1972-01-01

A systematic step-by-step computer-aided procedure for designing high-frequency transistor amplifiers is described. The technique makes it possible to determine the optimum source impedance which gives a minimum noise figure.

A Review of Developments in Computer-Based Systems to Image Teeth and Produce Dental Restorations

PubMed Central

Rekow, E. Dianne; Erdman, Arthur G.; Speidel, T. Michael

1987-01-01

Computer-aided design and manufacturing (CAD/CAM) make it possible to automate the creation of dental restorations. Currently practiced techniques are described. Three automated systems currently under development are described and compared. Advances in computer-aided design and computer-aided manufacturing (CAD/CAM) provide a new option for dentistry, creating an alternative technique for producing dental restorations. It is possible to create dental restorations that are automatically produced and meet or exceed current requirements for fit and occlusion.

Web-Based Learning in the Computer-Aided Design Curriculum.

ERIC Educational Resources Information Center

Sung, Wen-Tsai; Ou, S. C.

2002-01-01

Applies principles of constructivism and virtual reality (VR) to computer-aided design (CAD) curriculum, particularly engineering, by integrating network, VR and CAD technologies into a Web-based learning environment that expands traditional two-dimensional computer graphics into a three-dimensional real-time simulation that enhances user…

CAD system for footwear design based on whole real 3D data of last surface

NASA Astrophysics Data System (ADS)

Song, Wanzhong; Su, Xianyu

2000-10-01

Two major parts of application of CAD in footwear design are studied: the development of last surface; computer-aided design of planar shoe-template. A new quasi-experiential development algorithm of last surface based on triangulation approximation is presented. This development algorithm consumes less time and does not need any interactive operation for precisely development compared with other development algorithm of last surface. Based on this algorithm, a software, SHOEMAKERTM, which contains computer aided automatic measurement, automatic development of last surface and computer aide design of shoe-template has been developed.

Creation of Anatomically Accurate Computer-Aided Design (CAD) Solid Models from Medical Images

NASA Technical Reports Server (NTRS)

Stewart, John E.; Graham, R. Scott; Samareh, Jamshid A.; Oberlander, Eric J.; Broaddus, William C.

1999-01-01

Most surgical instrumentation and implants used in the world today are designed with sophisticated Computer-Aided Design (CAD)/Computer-Aided Manufacturing (CAM) software. This software automates the mechanical development of a product from its conceptual design through manufacturing. CAD software also provides a means of manipulating solid models prior to Finite Element Modeling (FEM). Few surgical products are designed in conjunction with accurate CAD models of human anatomy because of the difficulty with which these models are created. We have developed a novel technique that creates anatomically accurate, patient specific CAD solids from medical images in a matter of minutes.

Conformational diversity and computational enzyme design

PubMed Central

Lassila, Jonathan K.

2010-01-01

The application of computational protein design methods to the design of enzyme active sites offers potential routes to new catalysts and new reaction specificities. Computational design methods have typically treated the protein backbone as a rigid structure for the sake of computational tractability. However, this fixed-backbone approximation introduces its own special challenges for enzyme design and it contrasts with an emerging picture of natural enzymes as dynamic ensembles with multiple conformations and motions throughout a reaction cycle. This review considers the impact of conformational variation and dynamics on computational enzyme design and it highlights new approaches to addressing protein conformational diversity in enzyme design including recent advances in multistate design, backbone flexibility, and computational library design. PMID:20829099

Miscellaneous Topics in Computer-Aided Drug Design: Synthetic Accessibility and GPU Computing, and Other Topics.

PubMed

Fukunishi, Yoshifumi; Mashimo, Tadaaki; Misoo, Kiyotaka; Wakabayashi, Yoshinori; Miyaki, Toshiaki; Ohta, Seiji; Nakamura, Mayu; Ikeda, Kazuyoshi

2016-01-01

Computer-aided drug design is still a state-of-the-art process in medicinal chemistry, and the main topics in this field have been extensively studied and well reviewed. These topics include compound databases, ligand-binding pocket prediction, protein-compound docking, virtual screening, target/off-target prediction, physical property prediction, molecular simulation and pharmacokinetics/pharmacodynamics (PK/PD) prediction. Message and Conclusion: However, there are also a number of secondary or miscellaneous topics that have been less well covered. For example, methods for synthesizing and predicting the synthetic accessibility (SA) of designed compounds are important in practical drug development, and hardware/software resources for performing the computations in computer-aided drug design are crucial. Cloud computing and general purpose graphics processing unit (GPGPU) computing have been used in virtual screening and molecular dynamics simulations. Not surprisingly, there is a growing demand for computer systems which combine these resources. In the present review, we summarize and discuss these various topics of drug design.

Miscellaneous Topics in Computer-Aided Drug Design: Synthetic Accessibility and GPU Computing, and Other Topics

PubMed Central

Fukunishi, Yoshifumi; Mashimo, Tadaaki; Misoo, Kiyotaka; Wakabayashi, Yoshinori; Miyaki, Toshiaki; Ohta, Seiji; Nakamura, Mayu; Ikeda, Kazuyoshi

2016-01-01

Abstract: Background Computer-aided drug design is still a state-of-the-art process in medicinal chemistry, and the main topics in this field have been extensively studied and well reviewed. These topics include compound databases, ligand-binding pocket prediction, protein-compound docking, virtual screening, target/off-target prediction, physical property prediction, molecular simulation and pharmacokinetics/pharmacodynamics (PK/PD) prediction. Message and Conclusion: However, there are also a number of secondary or miscellaneous topics that have been less well covered. For example, methods for synthesizing and predicting the synthetic accessibility (SA) of designed compounds are important in practical drug development, and hardware/software resources for performing the computations in computer-aided drug design are crucial. Cloud computing and general purpose graphics processing unit (GPGPU) computing have been used in virtual screening and molecular dynamics simulations. Not surprisingly, there is a growing demand for computer systems which combine these resources. In the present review, we summarize and discuss these various topics of drug design. PMID:27075578

Enhancing an appointment diary on a pocket computer for use by people after brain injury.

PubMed

Wright, P; Rogers, N; Hall, C; Wilson, B; Evans, J; Emslie, H

2001-12-01

People with memory loss resulting from brain injury benefit from purpose-designed memory aids such as appointment diaries on pocket computers. The present study explores the effects of extending the range of memory aids and including games. For 2 months, 12 people who had sustained brain injury were loaned a pocket computer containing three purpose-designed memory aids: diary, notebook and to-do list. A month later they were given another computer with the same memory aids but a different method of text entry (physical keyboard or touch-screen keyboard). Machine order was counterbalanced across participants. Assessment was by interviews during the loan periods, rating scales, performance tests and computer log files. All participants could use the memory aids and ten people (83%) found them very useful. Correlations among the three memory aids were not significant, suggesting individual variation in how they were used. Games did not increase use of the memory aids, nor did loan of the preferred pocket computer (with physical keyboard). Significantly more diary entries were made by people who had previously used other memory aids, suggesting that a better understanding of how to use a range of memory aids could benefit some people with brain injury.

Perovskites in catalysis and electrocatalysis.

PubMed

Hwang, Jonathan; Rao, Reshma R; Giordano, Livia; Katayama, Yu; Yu, Yang; Shao-Horn, Yang

2017-11-10

Catalysts for chemical and electrochemical reactions underpin many aspects of modern technology and industry, from energy storage and conversion to toxic emissions abatement to chemical and materials synthesis. This role necessitates the design of highly active, stable, yet earth-abundant heterogeneous catalysts. In this Review, we present the perovskite oxide family as a basis for developing such catalysts for (electro)chemical conversions spanning carbon, nitrogen, and oxygen chemistries. A framework for rationalizing activity trends and guiding perovskite oxide catalyst design is described, followed by illustrations of how a robust understanding of perovskite electronic structure provides fundamental insights into activity, stability, and mechanism in oxygen electrocatalysis. We conclude by outlining how these insights open experimental and computational opportunities to expand the compositional and chemical reaction space for next-generation perovskite catalysts. Copyright © 2017, American Association for the Advancement of Science.

Computer-aided drug design for AMP-activated protein kinase activators.

PubMed

Wang, Zhanli; Huo, Jianxin; Sun, Lidan; Wang, Yongfu; Jin, Hongwei; Yu, Hui; Zhang, Liangren; Zhou, Lishe

2011-09-01

AMP-activated protein kinase (AMPK) is an important therapeutic target for the potential treatment of metabolic disorders, cardiovascular disease and cancer. Recently, various classes of compounds that activate AMPK by direct or indirect interactions have been reported. The importance of computer-aided drug design approaches in the search for potent activators of AMPK is now established, including structure-based design, ligand-based design, fragment-based design, as well as structural analysis. This review article highlights the computer-aided drug design approaches utilized to discover of activators targeting AMPK. The principles, advantages or limitation of the different methods are also being discussed together with examples of applications taken from the literatures.

User's manual: Computer-aided design programs for inductor-energy-storage dc-to-dc electronic power converters

NASA Technical Reports Server (NTRS)

Huffman, S.

1977-01-01

Detailed instructions on the use of two computer-aided-design programs for designing the energy storage inductor for single winding and two winding dc to dc converters are provided. Step by step procedures are given to illustrate the formatting of user input data. The procedures are illustrated by eight sample design problems which include the user input and the computer program output.

The Impact of Machine Translation and Computer-aided Translation on Translators

NASA Astrophysics Data System (ADS)

Peng, Hao

2018-03-01

Under the context of globalization, communications between countries and cultures are becoming increasingly frequent, which make it imperative to use some techniques to help translate. This paper is to explore the influence of computer-aided translation on translators, which is derived from the field of the computer-aided translation (CAT) and machine translation (MT). Followed by an introduction to the development of machine and computer-aided translation, it then depicts the technologies practicable to translators, which are trying to analyze the demand of designing the computer-aided translation so far in translation practice, and optimize the designation of computer-aided translation techniques, and analyze its operability in translation. The findings underline the advantages and disadvantages of MT and CAT tools, and the serviceability and future development of MT and CAT technologies. Finally, this thesis probes into the impact of these new technologies on translators in hope that more translators and translation researchers can learn to use such tools to improve their productivity.

Removal of Supernumerary Teeth Utilizing a Computer-Aided Design/Computer-Aided Manufacturing Surgical Guide.

PubMed

Jo, Chanwoo; Bae, Doohwan; Choi, Byungho; Kim, Jihun

2017-05-01

Supernumerary teeth need to be removed because they can cause various complications. Caution is needed because their removal can cause damage to permanent teeth or tooth germs in the local vicinity. Surgical guides have recently been used in maxillofacial surgery. Because surgical guides are designed through preoperative analysis by computer-aided design software and fabricated using a 3-dimensional printer applying computer-aided manufacturing technology, they increase the accuracy and predictability of surgery. This report describes 2 cases of removal of a mesiodens-1 from a child and 1 from an adolescent-using a surgical guide; these would have been difficult to remove with conventional surgical methods. Copyright © 2016 American Association of Oral and Maxillofacial Surgeons. Published by Elsevier Inc. All rights reserved.

Remote Science Operation Center research

NASA Technical Reports Server (NTRS)

Banks, P. M.

1986-01-01

Progress in the following areas is discussed: the design, planning and operation of a remote science payload operations control center; design and planning of a data link via satellite; and the design and prototyping of an advanced workstation environment for multi-media (3-D computer aided design/computer aided engineering, voice, video, text) communications and operations.

A Novel Computer-Aided Design/Computer-Assisted Manufacture Method for One-Piece Removable Partial Denture and Evaluation of Fit.

PubMed

Ye, Hongqiang; Li, Xinxin; Wang, Guanbo; Kang, Jing; Liu, Yushu; Sun, Yuchun; Zhou, Yongsheng

2018-02-15

To investigate a computer-aided design/computer-aided manufacturing (CAD/CAM) process for producing one-piece removable partial dentures (RPDs) and to evaluate their fits in vitro. A total of 15 one-piece RPDs were designed using dental CAD and reverse engineering software and then fabricated with polyetheretherketone (PEEK) using CAM. The gaps between RPDs and casts were measured and compared with traditional cast framework RPDs. Gaps were lower for one-piece PEEK RPDs compared to traditional RPDs. One-piece RPDs can be manufactured by CAD/CAM, and their fits were better than those of traditional RPDs.

Challenges facing developers of CAD/CAM models that seek to predict human working postures

NASA Astrophysics Data System (ADS)

Wiker, Steven F.

2005-11-01

This paper outlines the need for development of human posture prediction models for Computer Aided Design (CAD) and Computer Aided Manufacturing (CAM) design applications in product, facility and work design. Challenges facing developers of posture prediction algorithms are presented and discussed.

Quantifying the density and utilization of active sites in non-precious metal oxygen electroreduction catalysts

PubMed Central

Sahraie, Nastaran Ranjbar; Kramm, Ulrike I.; Steinberg, Julian; Zhang, Yuanjian; Thomas, Arne; Reier, Tobias; Paraknowitsch, Jens-Peter; Strasser, Peter

2015-01-01

Carbon materials doped with transition metal and nitrogen are highly active, non-precious metal catalysts for the electrochemical conversion of molecular oxygen in fuel cells, metal air batteries, and electrolytic processes. However, accurate measurement of their intrinsic turn-over frequency and active-site density based on metal centres in bulk and surface has remained difficult to date, which has hampered a more rational catalyst design. Here we report a successful quantification of bulk and surface-based active-site density and associated turn-over frequency values of mono- and bimetallic Fe/N-doped carbons using a combination of chemisorption, desorption and 57Fe Mössbauer spectroscopy techniques. Our general approach yields an experimental descriptor for the intrinsic activity and the active-site utilization, aiding in the catalyst development process and enabling a previously unachieved level of understanding of reactivity trends owing to a deconvolution of site density and intrinsic activity. PMID:26486465

User-Centered Computer Aided Language Learning

ERIC Educational Resources Information Center

Zaphiris, Panayiotis, Ed.; Zacharia, Giorgos, Ed.

2006-01-01

In the field of computer aided language learning (CALL), there is a need for emphasizing the importance of the user. "User-Centered Computer Aided Language Learning" presents methodologies, strategies, and design approaches for building interfaces for a user-centered CALL environment, creating a deeper understanding of the opportunities and…

Incorporation of CAD/CAM Restoration Into Navy Dentistry

DTIC Science & Technology

2017-09-26

CAD/CAM Computer-aided design /Computer-assisted manufacturing CDT Common Dental Terminology DENCAS Dental Common Access System DTF Dental...to reduce avoidable dental emergencies for deployed sailors and marines. Dental Computer-aided design /Computer-assisted manufacturing (CAD/CAM...report will review and evaluate the placement rate by Navy dentists of digitally fabricated in-office ceramic restorations compared to traditional direct

An Integrated Computational and Experimental Approach Toward the Design of Materials for Fuel Cell Systems

DTIC Science & Technology

2012-10-01

13 Based on the limited work done, the best reported ORR chalcogenide electrocatalysts for PEMFC applications can be ranked as follows: MoRuSe... PEMFC catalysts is the durability of the catalyst particles. Particle size distribution tends to shift towards larger particles during the...the design of new materials for applications in PEMFCs . Reference: A more detailed treatment of the topics of this section, Experimental Target 11

Estimation of the failure risk of a maxillary premolar with different crack depths with endodontic treatment by computer-aided design/computer-aided manufacturing ceramic restorations.

PubMed

Lin, Chun-Li; Chang, Yen-Hsiang; Hsieh, Shih-Kai; Chang, Wen-Jen

2013-03-01

This study evaluated the risk of failure for an endodontically treated premolar with different crack depths, which was shearing toward the pulp chamber and was restored by using 3 different computer-aided design/computer-aided manufacturing ceramic restoration configurations. Three 3-dimensional finite element models designed with computer-aided design/computer-aided manufacturing ceramic onlay, endocrown, and conventional crown restorations were constructed to perform simulations. The Weibull function was incorporated with finite element analysis to calculate the long-term failure probability relative to different load conditions. The results indicated that the stress values on the enamel, dentin, and luting cement for endocrown restorations exhibited the lowest values relative to the other 2 restoration methods. Weibull analysis revealed that the overall failure probabilities in a shallow cracked premolar were 27%, 2%, and 1% for the onlay, endocrown, and conventional crown restorations, respectively, in the normal occlusal condition. The corresponding values were 70%, 10%, and 2% for the depth cracked premolar. This numeric investigation suggests that the endocrown provides sufficient fracture resistance only in a shallow cracked premolar with endodontic treatment. The conventional crown treatment can immobilize the premolar for different cracked depths with lower failure risk. Copyright © 2013 American Association of Endodontists. Published by Elsevier Inc. All rights reserved.

Mechanistic Insights and Computational Design of Transition-Metal Catalysts for Hydrogenation and Dehydrogenation Reactions.

PubMed

Chen, Xiangyang; Yang, Xinzheng

2016-10-01

Catalytic hydrogenation and dehydrogenation reactions are fundamentally important in chemical synthesis and industrial processes, as well as potential applications in the storage and conversion of renewable energy. Modern computational quantum chemistry has already become a powerful tool in understanding the structures and properties of compounds and elucidating mechanistic insights of chemical reactions, and therefore, holds great promise in the design of new catalysts. Herein, we review our computational studies on the catalytic hydrogenation of carbon dioxide and small organic carbonyl compounds, and on the dehydrogenation of amine-borane and alcohols with an emphasis on elucidating reaction mechanisms and predicting new catalytic reactions, and in return provide some general ideas for the design of high-efficiency, low-cost transition-metal complexes for hydrogenation and dehydrogenation reactions. © 2016 The Chemical Society of Japan & Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

Unit cell-based computer-aided manufacturing system for tissue engineering.

PubMed

Kang, Hyun-Wook; Park, Jeong Hun; Kang, Tae-Yun; Seol, Young-Joon; Cho, Dong-Woo

2012-03-01

Scaffolds play an important role in the regeneration of artificial tissues or organs. A scaffold is a porous structure with a micro-scale inner architecture in the range of several to several hundreds of micrometers. Therefore, computer-aided construction of scaffolds should provide sophisticated functionality for porous structure design and a tool path generation strategy that can achieve micro-scale architecture. In this study, a new unit cell-based computer-aided manufacturing (CAM) system was developed for the automated design and fabrication of a porous structure with micro-scale inner architecture that can be applied to composite tissue regeneration. The CAM system was developed by first defining a data structure for the computing process of a unit cell representing a single pore structure. Next, an algorithm and software were developed and applied to construct porous structures with a single or multiple pore design using solid freeform fabrication technology and a 3D tooth/spine computer-aided design model. We showed that this system is quite feasible for the design and fabrication of a scaffold for tissue engineering.

Modeling and Analysis of Power Processing Systems (MAPPS). Volume 1: Technical report

NASA Technical Reports Server (NTRS)

Lee, F. C.; Rahman, S.; Carter, R. A.; Wu, C. H.; Yu, Y.; Chang, R.

1980-01-01

Computer aided design and analysis techniques were applied to power processing equipment. Topics covered include: (1) discrete time domain analysis of switching regulators for performance analysis; (2) design optimization of power converters using augmented Lagrangian penalty function technique; (3) investigation of current-injected multiloop controlled switching regulators; and (4) application of optimization for Navy VSTOL energy power system. The generation of the mathematical models and the development and application of computer aided design techniques to solve the different mathematical models are discussed. Recommendations are made for future work that would enhance the application of the computer aided design techniques for power processing systems.

Comparison of designed and randomly generated catalysts for simple chemical reactions.

PubMed

Kipnis, Yakov; Baker, David

2012-09-01

There has been recent success in designing enzymes for simple chemical reactions using a two-step protocol. In the first step, a geometric matching algorithm is used to identify naturally occurring protein scaffolds at which predefined idealized active sites can be realized. In the second step, the residues surrounding the transition state model are optimized to increase transition state binding affinity and to bolster the primary catalytic side chains. To improve the design methodology, we investigated how the set of solutions identified by the design calculations relate to the overall set of solutions for two different chemical reactions. Using a TIM barrel scaffold in which catalytically active Kemp eliminase and retroaldolase designs were obtained previously, we carried out activity screens of random libraries made to be compositionally similar to active designs. A small number of active catalysts were found in screens of 10³ variants for each of the two reactions, which differ from the computational designs in that they reuse charged residues already present in the native scaffold. The results suggest that computational design considerably increases the frequency of catalyst generation for active sites involving newly introduced catalytic residues, highlighting the importance of interaction cooperativity in enzyme active sites. Copyright © 2012 The Protein Society.

[Computer aided design for fixed partial denture framework based on reverse engineering technology].

PubMed

Sun, Yu-chun; Lü, Pei-jun; Wang, Yong

2006-03-01

To explore a computer aided design (CAD) route for the framework of domestic fixed partial denture (FPD) and confirm the suitable method of 3-D CAD. The working area of a dentition model was scanned with a 3-D mechanical scanner. Using the reverse engineering (RE) software, margin and border curves were extracted and several reference curves were created to ensure the dimension and location of pontic framework that was taken from the standard database. The shoulder parts of the retainers were created after axial surfaces constructed. The connecting areas, axial line and curving surface of the framework connector were finally created. The framework of a three-unit FPD was designed with RE technology, which showed smooth surfaces and continuous contours. The design route is practical. The result of this study is significant in theory and practice, which will provide a reference for establishing the computer aided design/computer aided manufacture (CAD/CAM) system of domestic FPD.

Using Computer Graphics in the 90's.

ERIC Educational Resources Information Center

Towne, Violet A.

Computer-Aided Design, a hands-on program for public school teachers, was first offered in the summer of 1987 as an outgrowth of a 1986 robotics training program. Area technology teachers needed computer-aided design (CAD) training because of a New York State Education system transition from the industrial arts curriculum to a new curriculum in…

Computer Code Aids Design Of Wings

NASA Technical Reports Server (NTRS)

Carlson, Harry W.; Darden, Christine M.

1993-01-01

AERO2S computer code developed to aid design engineers in selection and evaluation of aerodynamically efficient wing/canard and wing/horizontal-tail configurations that includes simple hinged-flap systems. Code rapidly estimates longitudinal aerodynamic characteristics of conceptual airplane lifting-surface arrangements. Developed in FORTRAN V on CDC 6000 computer system, and ported to MS-DOS environment.

In situ observations of water production and distribution in an operating H2/O2 PEM fuel cell assembly using 1H NMR microscopy.

PubMed

Feindel, Kirk W; LaRocque, Logan P-A; Starke, Dieter; Bergens, Steven H; Wasylishen, Roderick E

2004-09-22

Proton NMR imaging was used to investigate in situ the distribution of water in a polymer electrolyte membrane fuel cell operating on H2 and O2. In a single experiment, water was monitored in the gas flow channels, the membrane electrode assembly, and in the membrane surrounding the catalysts. Radial gradient diffusion removes water from the catalysts into the surrounding membrane. This research demonstrates the strength of 1H NMR microscopy as an aid for designing fuel cells to optimize water management.

The NASA computer aided design and test system

NASA Technical Reports Server (NTRS)

Gould, J. M.; Juergensen, K.

1973-01-01

A family of computer programs facilitating the design, layout, evaluation, and testing of digital electronic circuitry is described. CADAT (computer aided design and test system) is intended for use by NASA and its contractors and is aimed predominantly at providing cost effective microelectronic subsystems based on custom designed metal oxide semiconductor (MOS) large scale integrated circuits (LSIC's). CADAT software can be easily adopted by installations with a wide variety of computer hardware configurations. Its structure permits ease of update to more powerful component programs and to newly emerging LSIC technologies. The components of the CADAT system are described stressing the interaction of programs rather than detail of coding or algorithms. The CADAT system provides computer aids to derive and document the design intent, includes powerful automatic layout software, permits detailed geometry checks and performance simulation based on mask data, and furnishes test pattern sequences for hardware testing.

Computer-aided design of antenna structures and components

NASA Technical Reports Server (NTRS)

Levy, R.

1976-01-01

This paper discusses computer-aided design procedures for antenna reflector structures and related components. The primary design aid is a computer program that establishes cross sectional sizes of the structural members by an optimality criterion. Alternative types of deflection-dependent objectives can be selected for designs subject to constraints on structure weight. The computer program has a special-purpose formulation to design structures of the type frequently used for antenna construction. These structures, in common with many in other areas of application, are represented by analytical models that employ only the three translational degrees of freedom at each node. The special-purpose construction of the program, however, permits coding and data management simplifications that provide advantages in problem size and execution speed. Size and speed are essentially governed by the requirements of structural analysis and are relatively unaffected by the added requirements of design. Computation times to execute several design/analysis cycles are comparable to the times required by general-purpose programs for a single analysis cycle. Examples in the paper illustrate effective design improvement for structures with several thousand degrees of freedom and within reasonable computing times.

Programming Design Guide for Computer Implementation of Job Aid for Selecting Instructional Setting. Final Report.

ERIC Educational Resources Information Center

Schulz, Russel E.; And Others

This Programming Design Guide (PDG) was developed to permit the offline Job Aid for Selecting Instructional Setting, which is one of 13 job aids presently available for use with the Instructional Systems Development (ISD) model, to be available in an inquiry-type, online version. It is intended to provide computer programmers with all of the…

Computationally Probing the Performance of Hybrid, Heterogeneous, and Homogeneous Iridium-Based Catalysts for Water Oxidation

DOE Office of Scientific and Technical Information (OSTI.GOV)

García-Melchor, Max; Vilella, Laia; López, Núria

2016-04-29

An attractive strategy to improve the performance of water oxidation catalysts would be to anchor a homogeneous molecular catalyst on a heterogeneous solid surface to create a hybrid catalyst. The idea of this combined system is to take advantage of the individual properties of each of the two catalyst components. We use Density Functional Theory to determine the stability and activity of a model hybrid water oxidation catalyst consisting of a dimeric Ir complex attached on the IrO 2(110) surface through two oxygen atoms. We find that homogeneous catalysts can be bound to its matrix oxide without losing significant activity.more » Hence, designing hybrid systems that benefit from both the high tunability of activity of homogeneous catalysts and the stability of heterogeneous systems seems feasible.« less

Key Issues in Instructional Computer Graphics.

ERIC Educational Resources Information Center

Wozny, Michael J.

1981-01-01

Addresses key issues facing universities which plan to establish instructional computer graphics facilities, including computer-aided design/computer aided manufacturing systems, role in curriculum, hardware, software, writing instructional software, faculty involvement, operations, and research. Thirty-seven references and two appendices are…

Development and Verification of Body Armor Target Geometry Created Using Computed Tomography Scans

DTIC Science & Technology

2017-07-13

designated by other authorized documents. Citation of manufacturer’s or trade names does not constitute an official endorsement or approval of...modeling consisted of manual measurement of armor systems and translating those measurements to computer-aided design geometry, which can be tedious and...computer-aided design (CAD) human geometry model (referred to throughout as ORCA man) that is used in the Operational Requirement-based Casualty Assessment

Manufacturing Methods and Technology Project Summary Reports

DTIC Science & Technology

1985-06-01

Computer -Aided Design (CAD)/ Computer -Aided Manufacturing (CAM) Process for the Production of Cold Forged Gears Project 483 6121 - Robotic Welding and...Caliber Projectile Bodies Project 682 8370 - Automatic Inspection and 1-I1 Process Control of Weapons Parts Manufacturing METALS Project 181 7285 - Cast...designed for use on each project. Experience suggested that a general purpose computer interface might be designed that could be used on any project

Electronic Circuit Analysis Language (ECAL)

NASA Astrophysics Data System (ADS)

Chenghang, C.

1983-03-01

The computer aided design technique is an important development in computer applications and it is an important component of computer science. The special language for electronic circuit analysis is the foundation of computer aided design or computer aided circuit analysis (abbreviated as CACD and CACA) of simulated circuits. Electronic circuit analysis language (ECAL) is a comparatively simple and easy to use circuit analysis special language which uses the FORTRAN language to carry out the explanatory executions. It is capable of conducting dc analysis, ac analysis, and transient analysis of a circuit. Futhermore, the results of the dc analysis can be used directly as the initial conditions for the ac and transient analyses.

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.

Investigations in Computer-Aided Instruction and Computer-Aided Controls. Final Report.

ERIC Educational Resources Information Center

Rosenberg, R.C.; And Others

These research projects, designed to delve into certain relationships between humans and computers, are focused on computer-assisted instruction and on man-computer interaction. One study demonstrates that within the limits of formal engineering theory, a computer simulated laboratory (Dynamic Systems Laboratory) can be built in which freshmen…

The application of rapid prototyping technique in chin augmentation.

PubMed

Li, Min; Lin, Xin; Xu, Yongchen

2010-04-01

This article discusses the application of computer-aided design and rapid prototyping techniques in prosthetic chin augmentation for mild microgenia. Nine cases of mild microgenia underwent an electrobeam computer tomography scan. Then we performed three-dimensional reconstruction and operative design using computer software. According to the design, we determined the shape and size of the prostheses and made an individualized prosthesis for each chin augmentation with the rapid prototyping technique. With the application of computer-aided design and a rapid prototyping technique, we could determine the shape, size, and embedding location accurately. Prefabricating the individual prosthesis model is useful in improving the accuracy of treatment. In the nine cases of mild microgenia, three received a silicone implant, four received an ePTFE implant, and two received a Medpor implant. All patients were satisfied with the results. During follow-up at 6-12 months, all patients remained satisfied. The application of computer-aided design and rapid prototyping techniques can offer surgeons the ability to design an individualized ideal prosthesis for each patient.

Computer-Aided Design and Computer-Aided Manufacturing Hydroxyapatite/Epoxide Acrylate Maleic Compound Construction for Craniomaxillofacial Bone Defects.

PubMed

Zhang, Lei; Shen, Shunyao; Yu, Hongbo; Shen, Steve Guofang; Wang, Xudong

2015-07-01

The aim of this study was to investigate the use of computer-aided design and computer-aided manufacturing hydroxyapatite (HA)/epoxide acrylate maleic (EAM) compound construction artificial implants for craniomaxillofacial bone defects. Computed tomography, computer-aided design/computer-aided manufacturing and three-dimensional reconstruction, as well as rapid prototyping were performed in 12 patients between 2008 and 2013. The customized HA/EAM compound artificial implants were manufactured through selective laser sintering using a rapid prototyping machine into the exact geometric shapes of the defect. The HA/EAM compound artificial implants were then implanted during surgical reconstruction. Color-coded superimpositions demonstrated the discrepancy between the virtual plan and achieved results using Geomagic Studio. As a result, the HA/EAM compound artificial bone implants were perfectly matched with the facial areas that needed reconstruction. The postoperative aesthetic and functional results were satisfactory. The color-coded superimpositions demonstrated good consistency between the virtual plan and achieved results. The three-dimensional maximum deviation is 2.12 ± 0.65  mm and the three-dimensional mean deviation is 0.27 ± 0.07  mm. No facial nerve weakness or pain was observed at the follow-up examinations. Only 1 implant had to be removed 2 months after the surgery owing to severe local infection. No other complication was noted during the follow-up period. In conclusion, computer-aided, individually fabricated HA/EAM compound construction artificial implant was a good craniomaxillofacial surgical technique that yielded improved aesthetic results and functional recovery after reconstruction.

Computational Protein Engineering: Bridging the Gap between Rational Design and Laboratory Evolution

PubMed Central

Barrozo, Alexandre; Borstnar, Rok; Marloie, Gaël; Kamerlin, Shina Caroline Lynn

2012-01-01

Enzymes are tremendously proficient catalysts, which can be used as extracellular catalysts for a whole host of processes, from chemical synthesis to the generation of novel biofuels. For them to be more amenable to the needs of biotechnology, however, it is often necessary to be able to manipulate their physico-chemical properties in an efficient and streamlined manner, and, ideally, to be able to train them to catalyze completely new reactions. Recent years have seen an explosion of interest in different approaches to achieve this, both in the laboratory, and in silico. There remains, however, a gap between current approaches to computational enzyme design, which have primarily focused on the early stages of the design process, and laboratory evolution, which is an extremely powerful tool for enzyme redesign, but will always be limited by the vastness of sequence space combined with the low frequency for desirable mutations. This review discusses different approaches towards computational enzyme design and demonstrates how combining newly developed screening approaches that can rapidly predict potential mutation “hotspots” with approaches that can quantitatively and reliably dissect the catalytic step can bridge the gap that currently exists between computational enzyme design and laboratory evolution studies. PMID:23202907

Computer aided design of monolithic microwave and millimeter wave integrated circuits and subsystems

NASA Astrophysics Data System (ADS)

Ku, Walter H.

1989-05-01

The objectives of this research are to develop analytical and computer aided design techniques for monolithic microwave and millimeter wave integrated circuits (MMIC and MIMIC) and subsystems and to design and fabricate those ICs. Emphasis was placed on heterojunction-based devices, especially the High Electron Mobility Transition (HEMT), for both low noise and medium power microwave and millimeter wave applications. Circuits to be considered include monolithic low noise amplifiers, power amplifiers, and distributed and feedback amplifiers. Interactive computer aided design programs were developed, which include large signal models of InP MISFETs and InGaAs HEMTs. Further, a new unconstrained optimization algorithm POSM was developed and implemented in the general Analysis and Design program for Integrated Circuit (ADIC) for assistance in the design of largesignal nonlinear circuits.

Digital data acquisition for a CAD/CAM-fabricated titanium framework and zirconium oxide restorations for an implant-supported fixed complete dental prosthesis.

PubMed

Lin, Wei-Shao; Metz, Michael J; Pollini, Adrien; Ntounis, Athanasios; Morton, Dean

2014-12-01

This dental technique report describes a digital workflow with digital data acquisition at the implant level, computer-aided design and computer-aided manufacturing fabricated, tissue-colored, anodized titanium framework, individually luted zirconium oxide restorations, and autopolymerizing injection-molded acrylic resin to fabricate an implant-supported, metal-ceramic-resin fixed complete dental prosthesis in an edentulous mandible. The 1-step computer-aided design and computer-aided manufacturing fabrication of titanium framework and zirconium oxide restorations can provide a cost-effective alternative to the conventional metal-resin fixed complete dental prosthesis. Copyright © 2014 Editorial Council for the Journal of Prosthetic Dentistry. Published by Elsevier Inc. All rights reserved.

Correction of facial and mandibular asymmetry using a computer aided design/computer aided manufacturing prefabricated titanium implant.

PubMed

Watson, Jason; Hatamleh, Muhanad; Alwahadni, Ahed; Srinivasan, Dilip

2014-05-01

Patients with significant craniofacial asymmetry may have functional problems associated with their occlusion and aesthetic concerns related to the imbalance in soft and hard tissue profiles. This report details a case of facial asymmetry secondary to left mandible angle deficiency due to undergoing previous radiotherapy. We describe the correction of the bony deformity using computer aided design/computer aided manufacturing custom-made titanium onlay using novel direct metal laser sintering. The direct metal laser sintering onlay proved a very accurate operative fit and showed a good aesthetic correction of the bony defect with no reported complications postoperatively. It is a useful low-morbidity technique, and there is no resorption or associated donor-site complications.

Dual-scan technique for the customization of zirconia computer-aided design/computer-aided manufacturing frameworks.

PubMed

Andreiuolo, Rafael Ferrone; Sabrosa, Carlos Eduardo; Dias, Katia Regina H Cervantes

2013-09-01

The use of bi-layered all-ceramic crowns has continuously grown since the introduction of computer-aided design/computer-aided manufacturing (CAD/CAM) zirconia cores. Unfortunately, despite the outstanding mechanical properties of zirconia, problems related to porcelain cracking or chipping remain. One of the reasons for this is that ceramic copings are usually milled to uniform thicknesses of 0.3-0.6 mm around the whole tooth preparation. This may not provide uniform thickness or appropriate support for the veneering porcelain. To prevent these problems, the dual-scan technique demonstrates an alternative that allows the restorative team to customize zirconia CAD/CAM frameworks with adequate porcelain thickness and support in a simple manner.

Computer Aided Manufacturing.

ERIC Educational Resources Information Center

Insolia, Gerard

This document contains course outlines in computer-aided manufacturing developed for a business-industry technology resource center for firms in eastern Pennsylvania by Northampton Community College. The four units of the course cover the following: (1) introduction to computer-assisted design (CAD)/computer-assisted manufacturing (CAM); (2) CAM…

Buying CAM.

ERIC Educational Resources Information Center

Meloy, Jim; And Others

1990-01-01

The relationship between computer-aided design (CAD), computer-aided manufacturing (CAM), and computer numerical control (CNC) computer applications is described. Tips for helping educate the CAM buyer on what to look for and what to avoid when searching for the most appropriate instructional CAM package are provided. (KR)

Origin of diastereoselectivity in the organolanthanide-mediated intramolecular hydroamination/cyclisation of aminodienes: a computational exploration of constrained geometry CGC-Ln catalysts.

PubMed

Tobisch, Sven

2007-01-01

The regulation of ring-substituent diastereoselectivity in the intramolecular hydroamination/cyclisation (IHC) of alpha-substituted aminodienes by constrained geometry CGC-lanthanide catalysts (CGC=[Me(2)Si(eta(5)-Me(4)C(5))(tBuN)](2-)) has been elucidated by means of a reliable DFT method. The first survey of relevant elementary steps for the 1-methyl-(4E,6)-heptadienylamine substrate (1) and the [{Me(2)Si(eta(5)-Me(4)C(5))(tBuN)}Sm{N(TMS)(2)}] starting material (2) identified the following general mechanistic aspects of Ln-catalysed aminodiene IHC. The substrate-adduct 3-S of the active CGC-Ln-amidodiene compound represents the catalyst's resting state, but the substrate-free form 3' with a chelating amidodiene functionality is the direct precursor for cyclisation. This step proceeds with almost complete regioselectivity through exocyclic ring closure by means of a frontal trajectory, giving rise to the CGC-Ln-azacycle intermediate 4. Subsequent protonolysis of 4 is turnover limiting, whilst the ring-substituent diastereoselectivity is dictated by exocyclic ring closure. Unfavourable close interatomic contacts between the substrate's alpha-substituent and the catalyst backbone have been shown to largely govern the trans/cis selectivity. Substituents of sufficient bulk in the alpha-position of the substrate have been identified as being vital for stereochemical induction. The present study has indicated that the diastereoselectivity of ring closure can be considerably modulated. The variation of the lanthanide's ionic radius and introduction of extra steric pressure at the substrate's alpha-position and/or the CGC N centre have been identified as effective handles for tuning the selectivity. The quantification of these factors reported herein represents the first step toward the rational design of improved CGC-Ln catalyst architectures and will thus aid this process.

Computer Aided Grid Interface: An Interactive CFD Pre-Processor

NASA Technical Reports Server (NTRS)

Soni, Bharat K.

1997-01-01

NASA maintains an applications oriented computational fluid dynamics (CFD) efforts complementary to and in support of the aerodynamic-propulsion design and test activities. This is especially true at NASA/MSFC where the goal is to advance and optimize present and future liquid-fueled rocket engines. Numerical grid generation plays a significant role in the fluid flow simulations utilizing CFD. An overall goal of the current project was to develop a geometry-grid generation tool that will help engineers, scientists and CFD practitioners to analyze design problems involving complex geometries in a timely fashion. This goal is accomplished by developing the CAGI: Computer Aided Grid Interface system. The CAGI system is developed by integrating CAD/CAM (Computer Aided Design/Computer Aided Manufacturing) geometric system output and/or Initial Graphics Exchange Specification (IGES) files (including all the NASA-IGES entities), geometry manipulations and generations associated with grid constructions, and robust grid generation methodologies. This report describes the development process of the CAGI system.

Computer Aided Grid Interface: An Interactive CFD Pre-Processor

NASA Technical Reports Server (NTRS)

Soni, Bharat K.

1996-01-01

NASA maintains an applications oriented computational fluid dynamics (CFD) efforts complementary to and in support of the aerodynamic-propulsion design and test activities. This is especially true at NASA/MSFC where the goal is to advance and optimize present and future liquid-fueled rocket engines. Numerical grid generation plays a significant role in the fluid flow simulations utilizing CFD. An overall goal of the current project was to develop a geometry-grid generation tool that will help engineers, scientists and CFD practitioners to analyze design problems involving complex geometries in a timely fashion. This goal is accomplished by developing the Computer Aided Grid Interface system (CAGI). The CAGI system is developed by integrating CAD/CAM (Computer Aided Design/Computer Aided Manufacturing) geometric system output and / or Initial Graphics Exchange Specification (IGES) files (including all the NASA-IGES entities), geometry manipulations and generations associated with grid constructions, and robust grid generation methodologies. This report describes the development process of the CAGI system.

A non-linear programming approach to the computer-aided design of regulators using a linear-quadratic formulation

NASA Technical Reports Server (NTRS)

Fleming, P.

1985-01-01

A design technique is proposed for linear regulators in which a feedback controller of fixed structure is chosen to minimize an integral quadratic objective function subject to the satisfaction of integral quadratic constraint functions. Application of a non-linear programming algorithm to this mathematically tractable formulation results in an efficient and useful computer-aided design tool. Particular attention is paid to computational efficiency and various recommendations are made. Two design examples illustrate the flexibility of the approach and highlight the special insight afforded to the designer.

Usability Studies in Virtual and Traditional Computer Aided Design Environments for Fault Identification

DTIC Science & Technology

2017-08-08

Usability Studies In Virtual And Traditional Computer Aided Design Environments For Fault Identification Dr. Syed Adeel Ahmed, Xavier University...virtual environment with wand interfaces compared directly with a workstation non-stereoscopic traditional CAD interface with keyboard and mouse. In...the differences in interaction when compared with traditional human computer interfaces. This paper provides analysis via usability study methods

Computer Programming Languages and Expertise Needed by Practicing Engineers.

ERIC Educational Resources Information Center

Doelling, Irvin

1980-01-01

Discussed is the present engineering computer environment of a large aerospace company recognized as a leader in the application and development of computer-aided design and computer-aided manufacturing techniques. A review is given of the exposure spectrum of engineers to the world of computing, the computer languages used, and the career impacts…

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.

[Three-dimensional computer aided design for individualized post-and-core restoration].

PubMed

Gu, Xiao-yu; Wang, Ya-ping; Wang, Yong; Lü, Pei-jun

2009-10-01

To develop a method of three-dimensional computer aided design (CAD) of post-and-core restoration. Two plaster casts with extracted natural teeth were used in this study. The extracted teeth were prepared and scanned using tomography method to obtain three-dimensional digitalized models. According to the basic rules of post-and-core design, posts, cores and cavity surfaces of the teeth were designed using the tools for processing point clouds, curves and surfaces on the forward engineering software of Tanglong prosthodontic system. Then three-dimensional figures of the final restorations were corrected according to the configurations of anterior teeth, premolars and molars respectively. Computer aided design of 14 post-and-core restorations were finished, and good fitness between the restoration and the three-dimensional digital models were obtained. Appropriate retention forms and enough spaces for the full crown restorations can be obtained through this method. The CAD of three-dimensional figures of the post-and-core restorations can fulfill clinical requirements. Therefore they can be used in computer-aided manufacture (CAM) of post-and-core restorations.

Oxygen tolerance of an in silico-designed bioinspired hydrogen-evolving catalyst in water.

PubMed

Sit, Patrick H-L; Car, Roberto; Cohen, Morrel H; Selloni, Annabella

2013-02-05

Certain bacterial enzymes, the diiron hydrogenases, have turnover numbers for hydrogen production from water as large as 10(4)/s. Their much smaller common active site, composed of earth-abundant materials, has a structure that is an attractive starting point for the design of a practical catalyst for electrocatalytic or solar photocatalytic hydrogen production from water. In earlier work, our group has reported the computational design of [FeFe](P)/FeS(2), a hydrogenase-inspired catalyst/electrode complex, which is efficient and stable throughout the production cycle. However, the diiron hydrogenases are highly sensitive to ambient oxygen by a mechanism not yet understood in detail. An issue critical for practical use of [FeFe](P)/FeS(2) is whether this catalyst/electrode complex is tolerant to the ambient oxygen. We report demonstration by ab initio simulations that the complex is indeed tolerant to dissolved oxygen over timescales long enough for practical application, reducing it efficiently. This promising hydrogen-producing catalyst, composed of earth-abundant materials and with a diffusion-limited rate in acidified water, is efficient as well as oxygen tolerant.

Oxygen tolerance of an in silico-designed bioinspired hydrogen-evolving catalyst in water

PubMed Central

Sit, Patrick H.-L.; Car, Roberto; Cohen, Morrel H.; Selloni, Annabella

2013-01-01

Certain bacterial enzymes, the diiron hydrogenases, have turnover numbers for hydrogen production from water as large as 104/s. Their much smaller common active site, composed of earth-abundant materials, has a structure that is an attractive starting point for the design of a practical catalyst for electrocatalytic or solar photocatalytic hydrogen production from water. In earlier work, our group has reported the computational design of [FeFe]P/FeS2, a hydrogenase-inspired catalyst/electrode complex, which is efficient and stable throughout the production cycle. However, the diiron hydrogenases are highly sensitive to ambient oxygen by a mechanism not yet understood in detail. An issue critical for practical use of [FeFe]P/FeS2 is whether this catalyst/electrode complex is tolerant to the ambient oxygen. We report demonstration by ab initio simulations that the complex is indeed tolerant to dissolved oxygen over timescales long enough for practical application, reducing it efficiently. This promising hydrogen-producing catalyst, composed of earth-abundant materials and with a diffusion-limited rate in acidified water, is efficient as well as oxygen tolerant. PMID:23341607

Computational Modeling of Cobalt-based Water Oxidation: Current Status and Future Challenges

NASA Astrophysics Data System (ADS)

Schilling, Mauro; Luber, Sandra

2018-04-01

A lot of effort is nowadays put into the development of novel water oxidation catalysts. In this context mechanistic studies are crucial in order to elucidate the reaction mechanisms governing this complex process, new design paradigms and strategies how to improve the stability and efficiency of those catalysis. This review is focused on recent theoretical mechanistic studies in the field of homogeneous cobalt-based water oxidation catalysts. In the first part, computational methodologies and protocols are summarized and evaluated on the basis of their applicability towards real catalytic or smaller model systems, whereby special emphasis is laid on the choice of an appropriate model system. In the second part, an overview of mechanistic studies is presented, from which conceptual guidelines are drawn on how to approach novel studies of catalysts and how to further develop the field of computational modeling of water oxidation reactions.

IPAD: A unique approach to government/industry cooperation for technology development and transfer

NASA Technical Reports Server (NTRS)

Fulton, Robert E.; Salley, George C.

1985-01-01

A key element to improved industry productivity is effective management of Computer Aided Design / Computer Aided Manufacturing (CAD/CAM) information. To stimulate advancement, a unique joint government/industry project designated Integrated Programs for Aerospace-Vehicle Design (IPAD) was carried out from 1971 to 1984. The goal was to raise aerospace industry productivity through advancement of computer based technology to integrate and manage information involved in the design and manufacturing process. IPAD research was guided by an Industry Technical Advisory Board (ITAB) composed of over 100 representatives from aerospace and computer companies. The project complemented traditional NASA/DOD research to develop aerospace design technology and the Air Force's Integrated Computer Aided Manufacturing (ICAM) program to advance CAM technology. IPAD had unprecedented industry support and involvement and served as a unique approach to government industry cooperation in the development and transfer of advanced technology. The IPAD project background, approach, accomplishments, industry involvement, technology transfer mechanisms and lessons learned are summarized.

Computer Aided Conceptual Design of Submarines

DTIC Science & Technology

1984-06-01

Department 5f i ngi eering . May 19134 Certified by: Thesi Supervisor Accepted Y.’.I Cr’rman, (IeaV gineer ing Departmental Comimitte C - nuusý"(Xwa has...the equilibrium polygon. The Package interfaces with a pressure hull design module developed separately in an O.E. thesis by Marvin Meade. Interactive...computers or computer aided design systems. c- A𔃺ccession -or4 Thesis Supervisor: Dr. David V. Burke NI R~ Title: Professor of Ocean Engineering DTIC

What's your relationship with computerized manufacturing technologies -- functional, dysfunctional or non-existent?

Treesearch

Jan Wiedenbeck; Jeff Parsons; Bruce Beeken

2009-01-01

Computer-aided manufacturing (CAM), in which computer-aided design (CAD) and computer numerically controlled (CNC) machining are integrated for the production of parts, became a viable option for the woodworking industry in the 1980s.

[Research and application of computer-aided technology in restoration of maxillary defect].

PubMed

Cheng, Xiaosheng; Liao, Wenhe; Hu, Qingang; Wang, Qian; Dai, Ning

2008-08-01

This paper presents a new method of designing restoration model of maxillectomy defect through Computer aided technology. Firstly, 3D maxillectomy triangle mesh model is constructed from Helical CT data. Secondly, the triangle mesh model is transformed into initial computer-aided design (CAD) model of maxillectomy through reverse engineering software. Thirdly, the 3D virtual restoration model of maxillary defect is obtained after designing and adjusting the initial CAD model through CAD software according to the patient's practical condition. Therefore, the 3D virtual restoration can be fitted very well with the broken part of maxilla. The exported design data can be manufactured using rapid prototyping technology and foundry technology. Finally, the result proved that this method is effective and feasible.

Electronic Computer Aided Design. Its Application in FE.

ERIC Educational Resources Information Center

Further Education Unit, London (England).

A study was conducted at the Electronics Industrial Unit at the Dorset Institute of Higher Education to investigate the feasibility of incorporating computer-aided design (CAD) in electrical and electronic courses. The aim was to investigate the application of CAD to electrical and electronic systems; the extent to which industrial developments…

Braided Composites for Aerospace Applications. (Latest citations from the Aerospace Database)

NASA Technical Reports Server (NTRS)

1996-01-01

The bibliography contains citations concerning the design, fabrication, and testing of structural composites formed by braiding machines. Topics include computer aided design and associated computer aided manufacture of braided tubular and flat forms. Applications include aircraft and spacecraft structures, where high shear strength and stiffness are required.

Utilizing computerized entertainment education in the development of decision aids for lower literate and naïve computer users.

PubMed

Jibaja-Weiss, Maria L; Volk, Robert J

2007-01-01

Decision aids have been developed by using various delivery methods, including interactive computer programs. Such programs, however, still rely heavily on written information, health and digital literacy, and reading ease. We describe an approach to overcome these potential barriers for low-literate, underserved populations by making design considerations for poor readers and naïve computer users and by using concepts from entertainment education to engage the user and to contextualize the content for the user. The system design goals are to make the program both didactic and entertaining and the navigation and graphical user interface as simple as possible. One entertainment education strategy, the soap opera, is linked seamlessly to interactive learning modules to enhance the content of the soap opera episodes. The edutainment decision aid model (EDAM) guides developers through the design process. Although designing patient decision aids that are educational, entertaining, and targeted toward poor readers and those with limited computer skills is a complex task, it is a promising strategy for aiding this population. Entertainment education may be a highly effective approach to promoting informed decision making for patients with low health literacy.

A framework for development of an intelligent system for design and manufacturing of stamping dies

NASA Astrophysics Data System (ADS)

Hussein, H. M. A.; Kumar, S.

2014-07-01

An integration of computer aided design (CAD), computer aided process planning (CAPP) and computer aided manufacturing (CAM) is required for development of an intelligent system to design and manufacture stamping dies in sheet metal industries. In this paper, a framework for development of an intelligent system for design and manufacturing of stamping dies is proposed. In the proposed framework, the intelligent system is structured in form of various expert system modules for different activities of design and manufacturing of dies. All system modules are integrated with each other. The proposed system takes its input in form of a CAD file of sheet metal part, and then system modules automate all tasks related to design and manufacturing of stamping dies. Modules are coded using Visual Basic (VB) and developed on the platform of AutoCAD software.

Proceedings of the Workshop on Computational Aspects in the Control of Flexible Systems, part 1

NASA Technical Reports Server (NTRS)

Taylor, Lawrence W., Jr. (Compiler)

1989-01-01

Control/Structures Integration program software needs, computer aided control engineering for flexible spacecraft, computer aided design, computational efficiency and capability, modeling and parameter estimation, and control synthesis and optimization software for flexible structures and robots are among the topics discussed.

Integrated computer-aided design using minicomputers

NASA Technical Reports Server (NTRS)

Storaasli, O. O.

1980-01-01

Computer-Aided Design/Computer-Aided Manufacturing (CAD/CAM), a highly interactive software, has been implemented on minicomputers at the NASA Langley Research Center. CAD/CAM software integrates many formerly fragmented programs and procedures into one cohesive system; it also includes finite element modeling and analysis, and has been interfaced via a computer network to a relational data base management system and offline plotting devices on mainframe computers. The CAD/CAM software system requires interactive graphics terminals operating at a minimum of 4800 bits/sec transfer rate to a computer. The system is portable and introduces 'interactive graphics', which permits the creation and modification of models interactively. The CAD/CAM system has already produced designs for a large area space platform, a national transonic facility fan blade, and a laminar flow control wind tunnel model. Besides the design/drafting element analysis capability, CAD/CAM provides options to produce an automatic program tooling code to drive a numerically controlled (N/C) machine. Reductions in time for design, engineering, drawing, finite element modeling, and N/C machining will benefit productivity through reduced costs, fewer errors, and a wider range of configuration.

COMPUTER-AIDED DRAFTING AND DESIGN, A THREE-WEEK SUMMER INSTITUTE TRAINING PROGRAM (MIAMI-DADE JUNIOR COLLEGE, MIAMI, FLORIDA, JULY 10, 1967 - JULY 28, 1967). FINAL REPORT.

ERIC Educational Resources Information Center

MORPHONIOS, ALEX G.

THIRTY-SIX INSTRUCTORS, SUPERVISORS, AND DEPARTMENT CHAIRMEN IN AREAS OF DRAFTING, ENGINEERING, MANUFACTURING, AND COMPUTER TECHNOLOGY AT JUNIOR COLLEGES, TECHNICAL, AND AREA VOCATIONAL SCHOOLS IN 20 STATES ATTENDED A 3-WEEK SUMMER INSTITUTE TRAINING PROGRAM ON COMPUTER-AIDED DRAFTING AND DESIGN. EXPERIENCE IN PROGRAMING THE IBM SYSTEM 1620 WITH…

Computer-Aided Engineering Education at the K.U. Leuven.

ERIC Educational Resources Information Center

Snoeys, R.; Gobin, R.

1987-01-01

Describes some recent initiatives and developments in the computer-aided design program in the engineering faculty of the Katholieke Universiteit Leuven (Belgium). Provides a survey of the engineering curriculum, the computer facilities, and the main software packages available. (TW)

Program design by a multidisciplinary team. [for structural finite element analysis on STAR-100 computer

NASA Technical Reports Server (NTRS)

Voigt, S.

1975-01-01

The use of software engineering aids in the design of a structural finite-element analysis computer program for the STAR-100 computer is described. Nested functional diagrams to aid in communication among design team members were used, and a standardized specification format to describe modules designed by various members was adopted. This is a report of current work in which use of the functional diagrams provided continuity and helped resolve some of the problems arising in this long-running part-time project.

β-Amino acid catalyzed asymmetric Michael additions: design of organocatalysts with catalytic acid/base dyad inspired by serine proteases.

PubMed

Yang, Hui; Wong, Ming Wah

2011-09-16

A new type of chiral β-amino acid catalyst has been computationally designed, mimicking the enzyme catalysis of serine proteases. Our catalyst approach is based on the bioinspired catalytic acid/base dyad, namely, a carboxyl and imidazole pair. DFT calculations predict that this designed organocatalyst catalyzes Michael additions of aldehydes to nitroalkenes with excellent enantioselectivities and remarkably high anti diastereoselectivities. The unusual stacked geometry of the enamine intermediate, hydrogen bonding network, and the adoption of an exo transition state are the keys to understand the stereoselectivity. © 2011 American Chemical Society

Computationally Guided Catalyst Design in the Type I Dynamic Kinetic Asymmetric Pauson-Khand Reaction of Allenyl Acetates.

PubMed

Burrows, Lauren C; Jesikiewicz, Luke T; Lu, Gang; Geib, Steven J; Liu, Peng; Brummond, Kay M

2017-10-25

The Rh(I)-catalyzed allenic Pauson-Khand reaction (APKR) is an efficient, redox-neutral method of synthesizing α-acyloxy cyclopentenones. An enantioselective APKR could provide access to chiral, nonracemic α-acyloxy and α-hydroxy cyclopentenones and their corresponding redox derivatives, such as thapsigargin, a cytotoxic natural product with potent antitumor activity. Rapid scrambling of axial chirality of allenyl acetates in the presence of Rh(I) catalysts enables the conversion of racemic allene to enantiopure cyclopentenone product in a dynamic kinetic asymmetric transformation (DyKAT). A combined experimental and computational approach was taken to develop an effective catalytic system to achieve the asymmetric transformation. The optimization of the denticity, and steric and electronic properties of the ancillary ligand (initially (S)-MonoPhos, 58:42 er), afforded a hemilabile bidentate (S)-MonoPhos-alkene-Rh(I) catalyst that provided α-acyloxy cyclopentenone product in up to 14:86 er. Enantioselectivity of the Rh(I)-(S)-MonoPhos-alkene catalyst was rationalized using ligand-substrate steric interactions and distortion energies in the computed transition states. This asymmetric APKR of allenyl acetates is a rare example of a Type I DyKAT reaction of an allene, the first example of DyKAT in a cyclocarbonylation reaction, and the first catalyst-controlled enantioselective APKR.

Metal–Organic Frameworks Stabilize Solution-Inaccessible Cobalt Catalysts for Highly Efficient Broad-Scope Organic Transformations

DOE Office of Scientific and Technical Information (OSTI.GOV)

Zhang, Teng; Manna, Kuntal; Lin, Wenbin

New and active earth-abundant metal catalysts are critically needed to replace precious metal-based catalysts for sustainable production of commodity and fine chemicals. We report here the design of highly robust, active, and reusable cobalt-bipyridine- and cobalt-phenanthroline-based metal–organic framework (MOF) catalysts for alkene hydrogenation and hydroboration, aldehyde/ketone hydroboration, and arene C–H borylation. In alkene hydrogenation, the MOF catalysts tolerated a variety of functional groups and displayed unprecedentedly high turnover numbers of ~2.5 × 10 6 and turnover frequencies of ~1.1 × 10 5 h –1. Structural, computational, and spectroscopic studies show that site isolation of the highly reactive (bpy)Co(THF) 2 speciesmore » in the MOFs prevents intermolecular deactivation and stabilizes solution-inaccessible catalysts for broad-scope organic transformations. Computational, spectroscopic, and kinetic evidence further support a hitherto unknown (bpy•–)CoI(THF) 2 ground state that coordinates to alkene and dihydrogen and then undergoing σ-complex-assisted metathesis to form (bpy)Co(alkyl)(H). Reductive elimination of alkane followed by alkene binding completes the catalytic cycle. MOFs thus provide a novel platform for discovering new base-metal molecular catalysts and exhibit enormous potential in sustainable chemical catalysis.« less

Computer Aided Creativity.

ERIC Educational Resources Information Center

Proctor, Tony

1988-01-01

Explores the conceptual components of a computer program designed to enhance creative thinking and reviews software that aims to stimulate creative thinking. Discusses BRAIN and ORACLE, programs intended to aid in creative problem solving. (JOW)

IPAD: Integrated Programs for Aerospace-vehicle Design

NASA Technical Reports Server (NTRS)

1980-01-01

The conference was organized to promote wider awareness of the IPAD program and its coming impact on American industry. The program focuses on technology issues that are critical to computer aided design manufacturing. Included is a description of a representative aerospace design process and its interface with manufacturing, the design of a future IPAD integrated computer aided design system, results to date in developing IPAD products and associated technology, and industry experiences and plans to exploit these products.

Computer-Aided Design Applications for the Base Civil Engineering Technical Design Section.

DTIC Science & Technology

1983-09-01

4 1983.’ S DEPARTMENT OF TiHE AIR FORCE L ~j AIR UNIVERSITY * AIR FORCE INSTITUTE OF TECHNOLOGY Nam Wright- Patterson Air Force Bas, Ohio d ’rI ’ 4to...I -. L I 1it it COMPUTER-AIDED DESIGN APPLICATIONS FOR THE BASE CIVIL ENGINEERING TECHNICAL DESIGN SECTION William M. Duncan, Captain, USAF LSSR 15-83...8217 .. ’ , .. - -. . ’ . , ._, - . . - .2 , _ : ’i 1 . . . . .- J.. .. . ’ _ -i l - , . analysis and design, water supply and wastewater disposal system design, and most

National Occupational Skill Standards. CADD: Computer Aided Drafting and Design.

ERIC Educational Resources Information Center

National Coalition for Advanced Manufacturing, Washington, DC.

This document identifies computer-aided drafting and design (CADD) skills that companies require of training programs and future employees. The information was developed by two committees of technically knowledgeable CADD users from across the United States and validated by several hundred other CADD users. The skills are aimed at a beginner CADD…

Gathering Empirical Evidence Concerning Links between Computer Aided Design (CAD) and Creativity

ERIC Educational Resources Information Center

Musta'amal, Aede Hatib; Norman, Eddie; Hodgson, Tony

2009-01-01

Discussion is often reported concerning potential links between computer-aided designing and creativity, but there is a lack of systematic enquiry to gather empirical evidence concerning such links. This paper reports an indication of findings from other research studies carried out in contexts beyond general education that have sought evidence…

Computer-Aided Design in Further Education.

ERIC Educational Resources Information Center

Ingham, Peter, Ed.

This publication updates the 1982 occasional paper that was intended to foster staff awareness and assist colleges in Great Britain considering the use of computer-aided design (CAD) material in engineering courses. The paper begins by defining CAD and its place in the Integrated Business System with a brief discussion of the effect of CAD on the…

Patient-specific polyetheretherketone facial implants in a computer-aided planning workflow.

PubMed

Guevara-Rojas, Godoberto; Figl, Michael; Schicho, Kurt; Seemann, Rudolf; Traxler, Hannes; Vacariu, Apostolos; Carbon, Claus-Christian; Ewers, Rolf; Watzinger, Franz

2014-09-01

In the present study, we report an innovative workflow using polyetheretherketone (PEEK) patient-specific implants for esthetic corrections in the facial region through onlay grafting. The planning includes implant design according to virtual osteotomy and generation of a subtraction volume. The implant design was refined by stepwise changing the implant geometry according to soft tissue simulations. One patient was scanned using computed tomography. PEEK implants were interactively designed and manufactured using rapid prototyping techniques. Positioning intraoperatively was assisted by computer-aided navigation. Two months after surgery, a 3-dimensional surface model of the patient's face was generated using photogrammetry. Finally, the Hausdorff distance calculation was used to quantify the overall error, encompassing the failures in soft tissue simulation and implantation. The implant positioning process during surgery was satisfactory. The simulated soft tissue surface and the photogrammetry scan of the patient showed a high correspondence, especially where the skin covered the implants. The mean total error (Hausdorff distance) was 0.81 ± 1.00 mm (median 0.48, interquartile range 1.11). The spatial deviation remained less than 0.7 mm for the vast majority of points. The proposed workflow provides a complete computer-aided design, computer-aided manufacturing, and computer-aided surgery chain for implant design, allowing for soft tissue simulation, fabrication of patient-specific implants, and image-guided surgery to position the implants. Much of the surgical complexity resulting from osteotomies of the zygoma, chin, or mandibular angle might be transferred into the planning phase of patient-specific implants. Copyright © 2014 American Association of Oral and Maxillofacial Surgeons. Published by Elsevier Inc. All rights reserved.

An Investigation into Computer Aided Drafting and Design (CADD) in the Saginaw Area from the Viewpoint of Mechanical Drafting and Design Employers.

ERIC Educational Resources Information Center

Irwin, John L.

The extent to which computer-aided drafting and design (CADD) was being used in local businesses in Saginaw, Michigan, was investigated. Focuses of a literature review were types of CADD systems, categories of CADD users, and the symbiotic relationship between industry and education in providing CADD training. The survey questionnaire was…

Computer-aided engineering of semiconductor integrated circuits

NASA Astrophysics Data System (ADS)

Meindl, J. D.; Dutton, R. W.; Gibbons, J. F.; Helms, C. R.; Plummer, J. D.; Tiller, W. A.; Ho, C. P.; Saraswat, K. C.; Deal, B. E.; Kamins, T. I.

1980-07-01

Economical procurement of small quantities of high performance custom integrated circuits for military systems is impeded by inadequate process, device and circuit models that handicap low cost computer aided design. The principal objective of this program is to formulate physical models of fabrication processes, devices and circuits to allow total computer-aided design of custom large-scale integrated circuits. The basic areas under investigation are (1) thermal oxidation, (2) ion implantation and diffusion, (3) chemical vapor deposition of silicon and refractory metal silicides, (4) device simulation and analytic measurements. This report discusses the fourth year of the program.

Correction of Pectus Excavatum by Custom-Made Silicone Implants: Contribution of Computer-Aided Design Reconstruction. A 20-Year Experience and 401 Cases.

PubMed

Chavoin, Jean-Pierre; Grolleau, Jean-Louis; Moreno, Benjamin; Brunello, Jérémie; André, Aymeric; Dahan, Marcel; Garrido, Ignacio; Chaput, Benoit

2016-05-01

In the absence of demonstrable functional impairment, pectus excavatum is merely a congenital deformity, albeit with a marked psychological impact. Many patients do not wish to undergo thoracic remodeling operations, which are invasive and do not clearly result in respiratory or cardiac improvement. From 1993 to 2015, the authors designed 401 custom-made silicone implants to treat funnel chests. Before 2007, implants were made from plaster chest molds. Beginning in 2007, three-dimensional reconstructions were made from computed tomographic scans by computer-aided design. The authors prospectively recorded all assessments and follow-up data since 1993. Preoperative and postoperative photographs of two random groups of 50 patients were analyzed, in a blinded manner, by two surgeons independently. Intraoperative and postoperative complications, clinical outcomes, patient satisfaction, and quality of life were evaluated. One infection and three hematomas were recorded. Periprosthetic seroma was evident in all cases. Patients rated the cosmetic outcomes of computer-aided design implants significantly higher than those of the earlier implants made using plaster molds (p = 0.030). Malformations were better corrected in the computer-aided design group (86 percent) than in the plaster group (72 percent) (p = 0.038). Patient satisfaction was higher in the former group (p = 0.011). Medical Outcomes Study 36-Item Short-Form Health Survey scores revealed significant improvements, both socially and emotionally. Correction of pectus excavatum using a computer-aided design silicone implant fulfils aesthetic and psychological demands. The technique is simple and reliable and yields high-quality results. In the medium term, the approach may render invasive techniques obsolete. These operations remain risky and of doubtful functional utility. Therapeutic, III.

A rule based computer aided design system

NASA Technical Reports Server (NTRS)

Premack, T.

1986-01-01

A Computer Aided Design (CAD) system is presented which supports the iterative process of design, the dimensional continuity between mating parts, and the hierarchical structure of the parts in their assembled configuration. Prolog, an interactive logic programming language, is used to represent and interpret the data base. The solid geometry representing the parts is defined in parameterized form using the swept volume method. The system is demonstrated with a design of a spring piston.

Microwave processing of a dental ceramic used in computer-aided design/computer-aided manufacturing.

PubMed

Pendola, Martin; Saha, Subrata

2015-01-01

Because of their favorable mechanical properties and natural esthetics, ceramics are widely used in restorative dentistry. The conventional ceramic sintering process required for their use is usually slow, however, and the equipment has an elevated energy consumption. Sintering processes that use microwaves have several advantages compared to regular sintering: shorter processing times, lower energy consumption, and the capacity for volumetric heating. The objective of this study was to test the mechanical properties of a dental ceramic used in computer-aided design/computer-aided manufacturing (CAD/CAM) after the specimens were processed with microwave hybrid sintering. Density, hardness, and bending strength were measured. When ceramic specimens were sintered with microwaves, the processing times were reduced and protocols were simplified. Hardness was improved almost 20% compared to regular sintering, and flexural strength measurements suggested that specimens were approximately 50% stronger than specimens sintered in a conventional system. Microwave hybrid sintering may preserve or improve the mechanical properties of dental ceramics designed for CAD/CAM processing systems, reducing processing and waiting times.

The effects of computer-aided design software on engineering students' spatial visualisation skills

NASA Astrophysics Data System (ADS)

Kösa, Temel; Karakuş, Fatih

2018-03-01

The purpose of this study was to determine the influence of computer-aided design (CAD) software-based instruction on the spatial visualisation skills of freshman engineering students in a computer-aided engineering drawing course. A quasi-experimental design was applied, using the Purdue Spatial Visualization Test-Visualization of Rotations (PSVT:R) for both the pre- and the post-test. The participants were 116 freshman students in the first year of their undergraduate programme in the Department of Mechanical Engineering at a university in Turkey. A total of 72 students comprised the experimental group; they were instructed with CAD-based activities in an engineering drawing course. The control group consisted of 44 students who did not attend this course. The results of the study showed that a CAD-based engineering drawing course had a positive effect on developing engineering students' spatial visualisation skills. Additionally, the results of the study showed that spatial visualisation skills can be a predictor for success in a computer-aided engineering drawing course.

Integrating aerodynamic surface modeling for computational fluid dynamics with computer aided structural analysis, design, and manufacturing

NASA Technical Reports Server (NTRS)

Thorp, Scott A.

1992-01-01

This presentation will discuss the development of a NASA Geometry Exchange Specification for transferring aerodynamic surface geometry between LeRC systems and grid generation software used for computational fluid dynamics research. The proposed specification is based on a subset of the Initial Graphics Exchange Specification (IGES). The presentation will include discussion of how the NASA-IGES standard will accommodate improved computer aided design inspection methods and reverse engineering techniques currently being developed. The presentation is in viewgraph format.

A Simple and Resource-efficient Setup for the Computer-aided Drug Design Laboratory.

PubMed

Moretti, Loris; Sartori, Luca

2016-10-01

Undertaking modelling investigations for Computer-Aided Drug Design (CADD) requires a proper environment. In principle, this could be done on a single computer, but the reality of a drug discovery program requires robustness and high-throughput computing (HTC) to efficiently support the research. Therefore, a more capable alternative is needed but its implementation has no widespread solution. Here, the realization of such a computing facility is discussed, from general layout to technical details all aspects are covered. © 2016 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

Metal-ligand cooperation in catalytic intramolecular hydroamination: a computational study of iridium-pyrazolato cooperative activation of aminoalkenes.

PubMed

Tobisch, Sven

2012-06-04

The present study comprehensively explores diverse mechanistic pathways for intramolecular hydroamination of prototype 2,2-dimethyl-4-penten-1-amine by Cp*Ir chloropyrazole (1; Cp*=pentamethylcyclopentadienyl) in the presence of KOtBu base with the aid of density functional theory (DFT) calculations. The most accessible mechanistic pathway for catalytic turnover commences from Cp*Ir pyrazolato (Pz) substrate adduct 2⋅S, representing the catalytically competent compound and proceeds via initial electrophilic activation of the olefin C=C bond by the metal centre. It entails 1) facile and reversible anti nucleophilic amine attack on the iridium-olefin linkage; 2) Ir-C bond protonolysis via stepwise transfer of the ammonium N-H proton at the zwitterionic [Cp*IrPz-alkyl] intermediate onto the metal that is linked to turnover-limiting, reductive, cycloamine elimination commencing from a high-energy, metastable [Cp*IrPz-hydrido-alkyl] species; and 3) subsequent facile cycloamine liberation to regenerate the active catalyst species. The amine-iridium bound 2 a⋅S likely corresponds to the catalyst resting state and the catalytic reaction is expected to proceed with a significant primary kinetic isotope. This study unveils the vital role of a supportive hydrogen-bonded network involving suitably aligned β-basic pyrazolato and cycloamido moieties together with an external amine molecule in facilitating metal protonation and reductive elimination. Cooperative hydrogen bonding thus appears pivotal for effective catalysis. The mechanistic scenario is consonant with catalyst performance data and furthermore accounts for the variation in performance for [Cp*IrPz] compounds featuring a β- or γ-basic pyrazolato unit. As far as the route that involves amine N-H bond activation is concerned, a thus far undocumented pathway for concerted amidoalkene → cycloamine conversion through olefin protonation by the pyrazole N-H concurrent with N-C ring closure is disclosed as a favourable scenario. Although not practicable in the present system, this pathway describes a novel mechanistic variant in late transition metal-ligand bifunctional hydroamination catalysis that can perhaps be viable for tailored catalyst designs. The insights revealed herein concerning the operative mechanism and the structure-reactivity relationships will likely govern the rational design of late transition metal-ligand bifunctional catalysts and facilitate further conceptual advances in the area. Copyright © 2012 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

The Implications of Cognitive Psychology for Computer-Based Learning Tools.

ERIC Educational Resources Information Center

Kozma, Robert B.

1987-01-01

Defines cognitive computer tools as software programs that use the control capabilities of computers to amplify, extend, or enhance human cognition; suggests seven ways in which computers can aid learning; and describes the "Learning Tool," a software package for the Apple Macintosh microcomputer that is designed to aid learning of…

Computer aided design environment for the analysis and design of multi-body flexible structures

NASA Technical Reports Server (NTRS)

Ramakrishnan, Jayant V.; Singh, Ramen P.

1989-01-01

A computer aided design environment consisting of the programs NASTRAN, TREETOPS and MATLAB is presented in this paper. With links for data transfer between these programs, the integrated design of multi-body flexible structures is significantly enhanced. The CAD environment is used to model the Space Shuttle/Pinhole Occulater Facility. Then a controller is designed and evaluated in the nonlinear time history sense. Recent enhancements and ongoing research to add more capabilities are also described.

CAD/CAE Integration Enhanced by New CAD Services Standard

NASA Technical Reports Server (NTRS)

Claus, Russell W.

2002-01-01

A Government-industry team led by the NASA Glenn Research Center has developed a computer interface standard for accessing data from computer-aided design (CAD) systems. The Object Management Group, an international computer standards organization, has adopted this CAD services standard. The new standard allows software (e.g., computer-aided engineering (CAE) and computer-aided manufacturing software to access multiple CAD systems through one programming interface. The interface is built on top of a distributed computing system called the Common Object Request Broker Architecture (CORBA). CORBA allows the CAD services software to operate in a distributed, heterogeneous computing environment.

Computer-Aided Drug Design in Epigenetics

NASA Astrophysics Data System (ADS)

Lu, Wenchao; Zhang, Rukang; Jiang, Hao; Zhang, Huimin; Luo, Cheng

2018-03-01

Epigenetic dysfunction has been widely implicated in several diseases especially cancers thus highlights the therapeutic potential for chemical interventions in this field. With rapid development of computational methodologies and high-performance computational resources, computer-aided drug design has emerged as a promising strategy to speed up epigenetic drug discovery. Herein, we make a brief overview of major computational methods reported in the literature including druggability prediction, virtual screening, homology modeling, scaffold hopping, pharmacophore modeling, molecular dynamics simulations, quantum chemistry calculation and 3D quantitative structure activity relationship that have been successfully applied in the design and discovery of epi-drugs and epi-probes. Finally, we discuss about major limitations of current virtual drug design strategies in epigenetics drug discovery and future directions in this field.

Computer-Aided Drug Design in Epigenetics

PubMed Central

Lu, Wenchao; Zhang, Rukang; Jiang, Hao; Zhang, Huimin; Luo, Cheng

2018-01-01

Epigenetic dysfunction has been widely implicated in several diseases especially cancers thus highlights the therapeutic potential for chemical interventions in this field. With rapid development of computational methodologies and high-performance computational resources, computer-aided drug design has emerged as a promising strategy to speed up epigenetic drug discovery. Herein, we make a brief overview of major computational methods reported in the literature including druggability prediction, virtual screening, homology modeling, scaffold hopping, pharmacophore modeling, molecular dynamics simulations, quantum chemistry calculation, and 3D quantitative structure activity relationship that have been successfully applied in the design and discovery of epi-drugs and epi-probes. Finally, we discuss about major limitations of current virtual drug design strategies in epigenetics drug discovery and future directions in this field. PMID:29594101

Design, Development, Implementation, and Evaluation of the Computer Aided Interactive Testing System (CAITS). Focus on the Trained Person.

ERIC Educational Resources Information Center

1983

This report describes the design, development, implementation, and evaluation of the Computer Aided Interactive Testing System (CAITS) and addresses the applicability of the system in the Naval Education and Training Command. In addition to an introduction (section one), the report contains four sections and three appendices. Section two describes…

Revision of Electro-Mechanical Drafting Program to Include CAD/D (Computer-Aided Drafting/Design). Final Report.

ERIC Educational Resources Information Center

Snyder, Nancy V.

North Seattle Community College decided to integrate computer-aided design/drafting (CAD/D) into its Electro-Mechanical Drafting Program. This choice necessitated a redefinition of the program through new curriculum and course development. To initiate the project, a new industrial advisory council was formed. Major electronic and recruiting firms…

Computer-aided linear-circuit design.

NASA Technical Reports Server (NTRS)

Penfield, P.

1971-01-01

Usually computer-aided design (CAD) refers to programs that analyze circuits conceived by the circuit designer. Among the services such programs should perform are direct network synthesis, analysis, optimization of network parameters, formatting, storage of miscellaneous data, and related calculations. The program should be embedded in a general-purpose conversational language such as BASIC, JOSS, or APL. Such a program is MARTHA, a general-purpose linear-circuit analyzer embedded in APL.

Integrated Computer-Aided Drafting Instruction (ICADI).

ERIC Educational Resources Information Center

Chen, C. Y.; McCampbell, David H.

Until recently, computer-aided drafting and design (CAD) systems were almost exclusively operated on mainframes or minicomputers and their cost prohibited many schools from offering CAD instruction. Today, many powerful personal computers are capable of performing the high-speed calculation and analysis required by the CAD application; however,…

Computer-aided design of nano-filter construction using DNA self-assembly

NASA Astrophysics Data System (ADS)

Mohammadzadegan, Reza; Mohabatkar, Hassan

2007-01-01

Computer-aided design plays a fundamental role in both top-down and bottom-up nano-system fabrication. This paper presents a bottom-up nano-filter patterning process based on DNA self-assembly. In this study we designed a new method to construct fully designed nano-filters with the pores between 5 nm and 9 nm in diameter. Our calculations illustrated that by constructing such a nano-filter we would be able to separate many molecules.

Increasing productivity of the McAuto CAD/CAE system by user-specific applications programming

NASA Technical Reports Server (NTRS)

Plotrowski, S. M.; Vu, T. H.

1985-01-01

Significant improvements in the productivity of the McAuto Computer-Aided Design/Computer-Aided Engineering (CAD/CAE) system were achieved by applications programming using the system's own Graphics Interactive Programming language (GRIP) and the interface capabilities with the main computer on which the system resides. The GRIP programs for creating springs, bar charts, finite element model representations and aiding management planning are presented as examples.

Design Aids for Real-Time Systems (DARTS)

NASA Technical Reports Server (NTRS)

Szulewski, P. A.

1982-01-01

Design-Aids for Real-Time Systems (DARTS) is a tool that assists in defining embedded computer systems through tree structured graphics, military standard documentation support, and various analyses including automated Software Science parameter counting and metrics calculation. These analyses provide both static and dynamic design quality feedback which can potentially aid in producing efficient, high quality software systems.

PUZZLE - A program for computer-aided design of printed circuit artwork

NASA Technical Reports Server (NTRS)

Harrell, D. A. W.; Zane, R.

1971-01-01

Program assists in solving spacing problems encountered in printed circuit /PC/ design. It is intended to have maximum use for two-sided PC boards carrying integrated circuits, and also aids design of discrete component circuits.

The Macintosh Based Design Studio.

ERIC Educational Resources Information Center

Earle, Daniel W., Jr.

1988-01-01

Describes the configuration of a workstation for a college design studio based on the Macintosh Plus microcomputer. Highlights include cost estimates, computer hardware peripherals, computer aided design software, networked studios, and potentials for new approaches to design activity in the computer based studio of the future. (Author/LRW)

A flexible computer aid for conceptual design based on constraint propagation and component-modeling. [of aircraft in three dimensions

NASA Technical Reports Server (NTRS)

Kolb, Mark A.

1988-01-01

The Rubber Airplane program, which combines two symbolic processing techniques with a component-based database of design knowledge, is proposed as a computer aid for conceptual design. Using object-oriented programming, programs are organized around the objects and behavior to be simulated, and using constraint propagation, declarative statements designate mathematical relationships among all the equation variables. It is found that the additional level of organizational structure resulting from the arrangement of the design information in terms of design components provides greater flexibility and convenience.

Computer-Aided Reliability Estimation

NASA Technical Reports Server (NTRS)

Bavuso, S. J.; Stiffler, J. J.; Bryant, L. A.; Petersen, P. L.

1986-01-01

CARE III (Computer-Aided Reliability Estimation, Third Generation) helps estimate reliability of complex, redundant, fault-tolerant systems. Program specifically designed for evaluation of fault-tolerant avionics systems. However, CARE III general enough for use in evaluation of other systems as well.

Assessment of Chair-side Computer-Aided Design and Computer-Aided Manufacturing Restorations: A Review of the Literature

PubMed Central

Baroudi, Kusai; Ibraheem, Shukran Nasser

2015-01-01

Background: This paper aimed to evaluate the application of computer-aided design and computer-aided manufacturing (CAD-CAM) technology and the factors that affect the survival of restorations. Materials and Methods: A thorough literature search using PubMed, Medline, Embase, Science Direct, Wiley Online Library and Grey literature were performed from the year 2004 up to June 2014. Only relevant research was considered. Results: The use of chair-side CAD/CAM systems is promising in all dental branches in terms of minimizing time and effort made by dentists, technicians and patients for restoring and maintaining patient oral function and aesthetic, while providing high quality outcome. Conclusion: The way of producing and placing the restorations made with the chair-side CAD/CAM (CEREC and E4D) devices is better than restorations made by conventional laboratory procedures. PMID:25954082

Computer-aided design/computer-aided manufacturing skull base drill.

PubMed

Couldwell, William T; MacDonald, Joel D; Thomas, Charles L; Hansen, Bradley C; Lapalikar, Aniruddha; Thakkar, Bharat; Balaji, Alagar K

2017-05-01

The authors have developed a simple device for computer-aided design/computer-aided manufacturing (CAD-CAM) that uses an image-guided system to define a cutting tool path that is shared with a surgical machining system for drilling bone. Information from 2D images (obtained via CT and MRI) is transmitted to a processor that produces a 3D image. The processor generates code defining an optimized cutting tool path, which is sent to a surgical machining system that can drill the desired portion of bone. This tool has applications for bone removal in both cranial and spine neurosurgical approaches. Such applications have the potential to reduce surgical time and associated complications such as infection or blood loss. The device enables rapid removal of bone within 1 mm of vital structures. The validity of such a machining tool is exemplified in the rapid (< 3 minutes machining time) and accurate removal of bone for transtemporal (for example, translabyrinthine) approaches.

An esthetics rehabilitation with computer-aided design/ computer-aided manufacturing technology.

PubMed

Mazaro, Josá Vitor Quinelli; de Mello, Caroline Cantieri; Zavanelli, Adriana Cristina; Santiago, Joel Ferreira; Amoroso, Andressa Paschoal; Pellizzer, Eduardo Piza

2014-07-01

This paper describes a case of a rehabilitation involving Computer Aided Design/Computer Aided Manufacturing (CAD-CAM) system in implant supported and dental supported prostheses using zirconia as framework. The CAD-CAM technology has developed considerably over last few years, becoming a reality in dental practice. Among the widely used systems are the systems based on zirconia which demonstrate important physical and mechanical properties of high strength, adequate fracture toughness, biocompatibility and esthetics, and are indicated for unitary prosthetic restorations and posterior and anterior framework. All the modeling was performed by using CAD-CAM system and prostheses were cemented using resin cement best suited for each situation. The rehabilitation of the maxillary arch using zirconia framework demonstrated satisfactory esthetic and functional results after a 12-month control and revealed no biological and technical complications. This article shows the important of use technology CAD/CAM in the manufacture of dental prosthesis and implant-supported.

First principle chemical kinetics in zeolites: the methanol-to-olefin process as a case study.

PubMed

Van Speybroeck, Veronique; De Wispelaere, Kristof; Van der Mynsbrugge, Jeroen; Vandichel, Matthias; Hemelsoet, Karen; Waroquier, Michel

2014-11-07

To optimally design next generation catalysts a thorough understanding of the chemical phenomena at the molecular scale is a prerequisite. Apart from qualitative knowledge on the reaction mechanism, it is also essential to be able to predict accurate rate constants. Molecular modeling has become a ubiquitous tool within the field of heterogeneous catalysis. Herein, we review current computational procedures to determine chemical kinetics from first principles, thus by using no experimental input and by modeling the catalyst and reacting species at the molecular level. Therefore, we use the methanol-to-olefin (MTO) process as a case study to illustrate the various theoretical concepts. This process is a showcase example where rational design of the catalyst was for a long time performed on the basis of trial and error, due to insufficient knowledge of the mechanism. For theoreticians the MTO process is particularly challenging as the catalyst has an inherent supramolecular nature, for which not only the Brønsted acidic site is important but also organic species, trapped in the zeolite pores, must be essentially present during active catalyst operation. All these aspects give rise to specific challenges for theoretical modeling. It is shown that present computational techniques have matured to a level where accurate enthalpy barriers and rate constants can be predicted for reactions occurring at a single active site. The comparison with experimental data such as apparent kinetic data for well-defined elementary reactions has become feasible as current computational techniques also allow predicting adsorption enthalpies with reasonable accuracy. Real catalysts are truly heterogeneous in a space- and time-like manner. Future theory developments should focus on extending our view towards phenomena occurring at longer length and time scales and integrating information from various scales towards a unified understanding of the catalyst. Within this respect molecular dynamics methods complemented with additional techniques to simulate rare events are now gradually making their entrance within zeolite catalysis. Recent applications have already given a flavor of the benefit of such techniques to simulate chemical reactions in complex molecular environments.

Development of a Cross-Flow Fan Rotor for Vertical Take-Off and Landing Aircraft

DTIC Science & Technology

2013-06-01

ANSYS CFX , along with the commercial computer-aided design software SolidWorks, was used to model and perform a parametric study on the number of rotor...the results found using ANSYS CFX . The experimental and analytical models were successfully compared at speeds ranging from 4,000 to 7,000 RPM...will make vertical take-off possible. The commercial computational fluid dynamics software ANSYS CFX , along with the commercial computer-aided design

Improved Foundry Castings Utilizing CAD/CAM (Computer Aided Design/ Computer Aided Manufacture). Volume 1. Overview

DTIC Science & Technology

1988-06-30

casting. 68 Figure 1-9: Line printer representation of roll solidification. 69 Figure I1-1: Test casting model. 76 Figure 11-2: Division of test casting...writing new casting analysis and design routines. The new routines would take advantage of advanced criteria for predicting casting soundness and cast...properties and technical advances in computer hardware and software. 11 2. CONCLUSIONS UPCAST, a comprehensive software package, has been developed for

Program Aids Design Of Fluid-Circulating Systems

NASA Technical Reports Server (NTRS)

Bacskay, Allen; Dalee, Robert

1992-01-01

Computer Aided Systems Engineering and Analysis (CASE/A) program is interactive software tool for trade study and analysis, designed to increase productivity during all phases of systems engineering. Graphics-based command-driven software package provides user-friendly computing environment in which engineer analyzes performance and interface characteristics of ECLS/ATC system. Useful during all phases of spacecraft-design program, from initial conceptual design trade studies to actual flight, including pre-flight prediction and in-flight analysis of anomalies. Written in FORTRAN 77.

Current And Future Directions Of Lens Design Software

NASA Astrophysics Data System (ADS)

Gustafson, Darryl E.

1983-10-01

The most effective environment for doing lens design continues to evolve as new computer hardware and software tools become available. Important recent hardware developments include: Low-cost but powerful interactive multi-user 32 bit computers with virtual memory that are totally software-compatible with prior larger and more expensive members of the family. A rapidly growing variety of graphics devices for both hard-copy and screen graphics, including many with color capability. In addition, with optical design software readily accessible in many forms, optical design has become a part-time activity for a large number of engineers instead of being restricted to a small number of full-time specialists. A designer interface that is friendly for the part-time user while remaining efficient for the full-time designer is thus becoming more important as well as more practical. Along with these developments, software tools in other scientific and engineering disciplines are proliferating. Thus, the optical designer is less and less unique in his use of computer-aided techniques and faces the challenge and opportunity of efficiently communicating his designs to other computer-aided-design (CAD), computer-aided-manufacturing (CAM), structural, thermal, and mechanical software tools. This paper will address the impact of these developments on the current and future directions of the CODE VTM optical design software package, its implementation, and the resulting lens design environment.

Computer Aided Drafting and Design, Industrial Manufacturing Technician, and Mechanical Engineering Technician and Machine Tool, Die and Moldmaking Technology. Tech Prep Competency Profile.

ERIC Educational Resources Information Center

Mid-East Ohio Tech Prep Consortium, Zanesville.

This document contains competency profiles in four areas: computer-aided drafting and design; industrial manufacturing technician; mechanical engineering technician; and machine tool, die, and moldmaking technology occupations. The profiles are intended for use in articulating tech prep programs from high school through associate degrees in Ohio.…

Technology and Jobs: Computer-Aided Design. Numerical-Control Machine-Tool Operators. Office Automation.

ERIC Educational Resources Information Center

Stanton, Michael; And Others

1985-01-01

Three reports on the effects of high technology on the nature of work include (1) Stanton on applications and implications of computer-aided design for engineers, drafters, and architects; (2) Nardone on the outlook and training of numerical-control machine tool operators; and (3) Austin and Drake on the future of clerical occupations in automated…

European Science Notes Information Bulletin Reports on Current European/ Middle Eastern Science

DTIC Science & Technology

1991-04-01

Fault tolerance Technology and VLSIIWSI Implementation 10th IFAC2 Workshop on Distributed Computer Optimal designs Commercial and experimental Control...catalysts that would facilitate cooperation between applications experts and computer architects in designing and implementing a new generation of parallel...speculative. Sediments immediately north of Iceland are up to 1-km However, they demonstrate the methodology for thick but thin rapidly to less than 200-m

Recent advances in the reconstruction of cranio-maxillofacial defects using computer-aided design/computer-aided manufacturing.

PubMed

Oh, Ji-Hyeon

2018-12-01

With the development of computer-aided design/computer-aided manufacturing (CAD/CAM) technology, it has been possible to reconstruct the cranio-maxillofacial defect with more accurate preoperative planning, precise patient-specific implants (PSIs), and shorter operation times. The manufacturing processes include subtractive manufacturing and additive manufacturing and should be selected in consideration of the material type, available technology, post-processing, accuracy, lead time, properties, and surface quality. Materials such as titanium, polyethylene, polyetheretherketone (PEEK), hydroxyapatite (HA), poly-DL-lactic acid (PDLLA), polylactide-co-glycolide acid (PLGA), and calcium phosphate are used. Design methods for the reconstruction of cranio-maxillofacial defects include the use of a pre-operative model printed with pre-operative data, printing a cutting guide or template after virtual surgery, a model after virtual surgery printed with reconstructed data using a mirror image, and manufacturing PSIs by directly obtaining PSI data after reconstruction using a mirror image. By selecting the appropriate design method, manufacturing process, and implant material according to the case, it is possible to obtain a more accurate surgical procedure, reduced operation time, the prevention of various complications that can occur using the traditional method, and predictive results compared to the traditional method.

Prosthetically guided maxillofacial surgery: evaluation of the accuracy of a surgical guide and custom-made bone plate in oncology patients after mandibular reconstruction.

PubMed

Mazzoni, Simona; Marchetti, Claudio; Sgarzani, Rossella; Cipriani, Riccardo; Scotti, Roberto; Ciocca, Leonardo

2013-06-01

The aim of the present study was to evaluate the accuracy of prosthetically guided maxillofacial surgery in reconstructing the mandible with a free vascularized flap using custom-made bone plates and a surgical guide to cut the mandible and fibula. The surgical protocol was applied in a study group of seven consecutive mandibular-reconstructed patients who were compared with a control group treated using the standard preplating technique on stereolithographic models (indirect computer-aided design/computer-aided manufacturing method). The precision of both surgical techniques (prosthetically guided maxillofacial surgery and indirect computer-aided design/computer-aided manufacturing procedure) was evaluated by comparing preoperative and postoperative computed tomographic data and assessment of specific landmarks. With regard to midline deviation, no significant difference was documented between the test and control groups. With regard to mandibular angle shift, only one left angle shift on the lateral plane showed a statistically significant difference between the groups. With regard to angular deviation of the body axis, the data showed a significant difference in the arch deviation. All patients in the control group registered greater than 8 degrees of deviation, determining a facial contracture of the external profile at the lower margin of the mandible. With regard to condylar position, the postoperative condylar position was better in the test group than in the control group, although no significant difference was detected. The new protocol for mandibular reconstruction using computer-aided design/computer-aided manufacturing prosthetically guided maxillofacial surgery to construct custom-made guides and plates may represent a viable method of reproducing the patient's anatomical contour, giving the surgeon better procedural control and reducing procedure time. Therapeutic, III.

Design of microstrip components by computer

NASA Technical Reports Server (NTRS)

Cisco, T. C.

1972-01-01

Development of computer programs for component analysis and design aids used in production of microstrip components is discussed. System includes designs for couplers, filters, circulators, transformers, power splitters, diode switches, and attenuators.

Computer-aided design of polymers and composites

NASA Technical Reports Server (NTRS)

Kaelble, D. H.

1985-01-01

This book on computer-aided design of polymers and composites introduces and discusses the subject from the viewpoint of atomic and molecular models. Thus, the origins of stiffness, strength, extensibility, and fracture toughness in composite materials can be analyzed directly in terms of chemical composition and molecular structure. Aspects of polymer composite reliability are considered along with characterization techniques for composite reliability, relations between atomic and molecular properties, computer aided design and manufacture, polymer CAD/CAM models, and composite CAD/CAM models. Attention is given to multiphase structural adhesives, fibrous composite reliability, metal joint reliability, polymer physical states and transitions, chemical quality assurance, processability testing, cure monitoring and management, nondestructive evaluation (NDE), surface NDE, elementary properties, ionic-covalent bonding, molecular analysis, acid-base interactions, the manufacturing science, and peel mechanics.

SNL Mechanical Computer Aided Design (MCAD) guide 2007.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Moore, Brandon; Pollice, Stephanie L.; Martinez, Jack R.

2007-12-01

This document is considered a mechanical design best-practice guide to new and experienced designers alike. The contents consist of topics related to using Computer Aided Design (CAD) software, performing basic analyses, and using configuration management. The details specific to a particular topic have been leveraged against existing Product Realization Standard (PRS) and Technical Business Practice (TBP) requirements while maintaining alignment with sound engineering and design practices. This document is to be considered dynamic in that subsequent updates will be reflected in the main title, and each update will be published on an annual basis.

Hardware synthesis from DDL. [Digital Design Language for computer aided design and test of LSI

NASA Technical Reports Server (NTRS)

Shah, A. M.; Shiva, S. G.

1981-01-01

The details of the digital systems can be conveniently input into the design automation system by means of Hardware Description Languages (HDL). The Computer Aided Design and Test (CADAT) system at NASA MSFC is used for the LSI design. The Digital Design Language (DDL) has been selected as HDL for the CADAT System. DDL translator output can be used for the hardware implementation of the digital design. This paper addresses problems of selecting the standard cells from the CADAT standard cell library to realize the logic implied by the DDL description of the system.

Computer aided flexible envelope designs

NASA Technical Reports Server (NTRS)

Resch, R. D.

1975-01-01

Computer aided design methods are presented for the design and construction of strong, lightweight structures which require complex and precise geometric definition. The first, flexible structures, is a unique system of modeling folded plate structures and space frames. It is possible to continuously vary the geometry of a space frame to produce large, clear spans with curvature. The second method deals with developable surfaces, where both folding and bending are explored with the observed constraint of available building materials, and what minimal distortion result in maximum design capability. Alternative inexpensive fabrication techniques are being developed to achieve computer defined enclosures which are extremely lightweight and mathematically highly precise.

The role of culture in effective HIV/AIDS communication by theatre in South Africa.

PubMed

Uwah, Chijioke

2013-01-01

The need to effectively communicate HIV/AIDS messages in South Africa, given the high prevalence of the pandemic, cannot be overemphasised. Communication scholars have long emphasised the need to recognise adherence to cultural norms of target communities as catalyst for effective HIV/AIDS communication. Unfortunately this call has not been totally heeded by the designers of HIV/AIDS communication instruments. In the case of theatre, research has shown that in South Africa, theatre groups have gone into communities with pre-packaged plays without due cognisance of the cultural norms and beliefs of the target population. This research was conducted in KwaZulu-Natal (the province with the highest prevalence rate of HIV/AIDS infection in South Africa). Using a qualitative research methodology this paper investigated the inclusion/non-inclusion of the cultural norms of the target population in the design of the dramatic performance by the theatre group in its HIV/AIDS campaigns. The findings indicate that while the group did try to incorporate aspects of the cultural norms of the target population, it did so at a level that failed to effectively communicate the HIV/AIDS message to its audiences. This paper therefore seeks to show through empirical evidence that the non-inclusion of cultural norms and values of the target population has acted as a stumbling block in the effective communication of HIV/AIDS messages by theatre groups in the country.

Mechanical Design Technology--Modified. (Computer Assisted Drafting, Computer Aided Design). Curriculum Grant 84/85.

ERIC Educational Resources Information Center

Schoolcraft Coll., Livonia, MI.

This document is a curriculum guide for a program in mechanical design technology (computer-assisted drafting and design developed at Schoolcraft College, Livonia, Michigan). The program helps students to acquire the skills of drafters and to interact with electronic equipment, with the option of becoming efficient in the computer-aided…

The concept, reality and utility of single-site heterogeneous catalysts (SSHCs).

PubMed

Thomas, John Meurig

2014-05-07

Very substantial advances have recently been made in the design and construction of solid catalysts and in elucidating both their mode of operation and the factors that determine their selectivity and longevity. This Perspective explains how and why such progress has been made. One important factor, the deployment of single-site heterogeneous and enzymatic catalysts, used either alone or in conjunction with other strategies, including metabolic engineering, enables a multitude of new products (for example, environmentally clean jet fuel) to be readily manufactured. In a practical sense SSHCs enable the advantages of homogeneous and to a lesser degree enzymatic catalysts to be united with those of heterogeneous ones. With the aid of the vastly increasing families of nanoporous solids, desired catalytically active sites may be engineered in atomic detail on their inner, accessible surfaces, thereby opening up new possibilities in synthetic organic chemistry - as in the smooth formation of C-C and C[double bond, length as m-dash]N bonds in a number of intermolecular reactions - as well as in photocatalysts and in fluidized catalytic cracking of hydrocarbons.

The Computer Aided Aircraft-design Package (CAAP)

NASA Technical Reports Server (NTRS)

Yalif, Guy U.

1994-01-01

The preliminary design of an aircraft is a complex, labor-intensive, and creative process. Since the 1970's, many computer programs have been written to help automate preliminary airplane design. Time and resource analyses have identified, 'a substantial decrease in project duration with the introduction of an automated design capability'. Proof-of-concept studies have been completed which establish 'a foundation for a computer-based airframe design capability', Unfortunately, today's design codes exist in many different languages on many, often expensive, hardware platforms. Through the use of a module-based system architecture, the Computer aided Aircraft-design Package (CAAP) will eventually bring together many of the most useful features of existing programs. Through the use of an expert system, it will add an additional feature that could be described as indispensable to entry level engineers and students: the incorporation of 'expert' knowledge into the automated design process.

Considerations in computer-aided design for inlay cranioplasty: technical note.

PubMed

Nout, Erik; Mommaerts, Maurice Y

2018-03-01

Cranioplasty is a frequently performed procedure that uses a variety of reconstruction materials and techniques. In this technical note, we present refinements of computer-aided design-computer-aided manufacturing inlay cranioplasty. In an attempt to decrease complications related to polyether-ether-ketone (PEEK) cranioplasty, we gradually made changes to implant design and cranioplasty techniques. These changes include under-contouring of the implant and the use of segmented plates for large defects, microplate fixation for small temporal defects, temporal shell implants to reconstruct the temporalis muscle, and perforations to facilitate the drainage of blood and cerebrospinal fluid and serve as fixation points. From June 2016 to June 2017, 18 patients underwent cranioplasty, and a total of 31 PEEK and titanium implants were inserted. All implants were successful. These changes to implant design and cranioplasty techniques facilitate the insertion and fixation of patient-specific cranial implants and improve esthetic outcomes.

Creating an Electronic Reference and Information Database for Computer-aided ECM Design

NASA Astrophysics Data System (ADS)

Nekhoroshev, M. V.; Pronichev, N. D.; Smirnov, G. V.

2018-01-01

The paper presents a review on electrochemical shaping. An algorithm has been developed to implement a computer shaping model applicable to pulse electrochemical machining. For that purpose, the characteristics of pulse current occurring in electrochemical machining of aviation materials have been studied. Based on integrating the experimental results and comprehensive electrochemical machining process data modeling, a subsystem for computer-aided design of electrochemical machining for gas turbine engine blades has been developed; the subsystem was implemented in the Teamcenter PLM system.

Navigation-aid power systems

NASA Technical Reports Server (NTRS)

Goltz, G. L.; Kaiser, L. M.; Weiner, H.

1979-01-01

Design synthesis and performance analysis (DSPA) program package is collection of subroutines used for computation of design and performance characteristics of viable solar-array-charged battery powered system for flashing-lamp buoys employed as maritime aids to navigation.

Integrating a facial scan, virtual smile design, and 3D virtual patient for treatment with CAD-CAM ceramic veneers: A clinical report.

PubMed

Lin, Wei-Shao; Harris, Bryan T; Phasuk, Kamolphob; Llop, Daniel R; Morton, Dean

2018-02-01

This clinical report describes a digital workflow using the virtual smile design approach augmented with a static 3-dimensional (3D) virtual patient with photorealistic appearance to restore maxillary central incisors by using computer-aided design and computer-aided manufacturing (CAD-CAM) monolithic lithium disilicate ceramic veneers. Copyright © 2017 Editorial Council for the Journal of Prosthetic Dentistry. Published by Elsevier Inc. All rights reserved.

An Analysis of Computer Aided Design (CAD) Packages Used at MSFC for the Recent Initiative to Integrate Engineering Activities

NASA Technical Reports Server (NTRS)

Smith, Leigh M.; Parker, Nelson C. (Technical Monitor)

2002-01-01

This paper analyzes the use of Computer Aided Design (CAD) packages at NASA's Marshall Space Flight Center (MSFC). It examines the effectiveness of recent efforts to standardize CAD practices across MSFC engineering activities. An assessment of the roles played by management, designers, analysts, and manufacturers in this initiative will be explored. Finally, solutions are presented for better integration of CAD across MSFC in the future.

Artwork Interactive Design System (AIDS) program description

NASA Technical Reports Server (NTRS)

Johnson, B. T.; Taylor, J. F.

1976-01-01

An artwork interactive design system is described which provides the microelectronic circuit designer/engineer a tool to perform circuit design, automatic layout modification, standard cell design, and artwork verification at a graphics computer terminal using a graphics tablet at the designer/computer interface.

Attitudes of Design Students toward Computer Usage in Design

ERIC Educational Resources Information Center

Pektas, Sule Tasli; Erkip, Feyzan

2006-01-01

The success of efforts to integrate technology with design education is largely affected by the attitudes of students toward technology. This paper presents the findings of a research on the attitudes of design students toward the use of computers in design and its correlates. Computer Aided Design (CAD) tools are the most widely used computer…

Usability Studies In Virtual And Traditional Computer Aided Design Environments For Spatial Awareness

DTIC Science & Technology

2017-08-08

Usability Studies In Virtual And Traditional Computer Aided Design Environments For Spatial Awareness Dr. Syed Adeel Ahmed, Xavier University of...virtual environment with wand interfaces compared directly with a workstation non-stereoscopic traditional CAD interface with keyboard and mouse. In...navigate through a virtual environment. The wand interface provides a significantly improved means of interaction. This study quantitatively measures the

High School Students' Written Argumentation Qualities with Problem-Based Computer-Aided Material (PBCAM) Designed about Human Endocrine System

ERIC Educational Resources Information Center

Vekli, Gülsah Sezen; Çimer, Atilla

2017-01-01

This study investigated development of students' scientific argumentation levels in the applications made with Problem-Based Computer-Aided Material (PBCAM) designed about Human Endocrine System. The case study method was used: The study group was formed of 43 students in the 11th grade of the science high school in Rize. Human Endocrine System…

A Survey of CAD/CAM Technology Applications in the U.S. Shipbuilding Industry

DTIC Science & Technology

1984-01-01

operation for drafting. Computer Aided Engineering (CAE) analysis is used primarily to determine the validity of design characteristics and produc- tion...include time standard generation, sea trial analysis , and group Systems integration While no systems surveyed Aided Design (CAD) is the technology... analysis . is the largest problem involving software packages. are truly integrated, many are interfaced. Computer most interfaced category with links

Computer Aided Design in FE. Some Suggestions on the Inclusion of CAD Topics in Mechanical Engineering Courses. An Occasional Paper.

ERIC Educational Resources Information Center

Ingham, P. C.

This report investigates the feasibility of including computer aided design (CAD) materials in engineering courses. Section 1 briefly discusses the inevitability of CAD being adopted widely by British industry and the consequent need for its inclusion in engineering syllabi at all levels. A short description of what is meant by CAD follows in…

Computer-Aided Drafting and Design Series. Educational Resources for the Machine Tool Industry, Course Syllabi, [and] Instructor's Handbook. Student Laboratory Manual.

ERIC Educational Resources Information Center

Texas State Technical Coll. System, Waco.

This package consists of course syllabi, an instructor's handbook, and a student laboratory manual for a 2-year vocational training program to prepare students for entry-level employment in computer-aided drafting and design in the machine tool industry. The program was developed through a modification of the DACUM (Developing a Curriculum)…

Guided Immediate Implant Placement with Wound Closure by Computer-Aided Design/Computer-Assisted Manufacture Sealing Socket Abutment: Case Report.

PubMed

Finelle, Gary; Lee, Sang J

Digital technology has been widely used in the field of implant dentistry. From a surgical standpoint, computer-guided surgery can be utilized to enhance primary implant stability and to improve the precision of implant placement. From a prosthetic standpoint, computer-aided design/computer-assisted manufacture (CAD/CAM) technology has brought about various restorative options, including the fabrication of customized abutments through a virtual design based on computer-guided surgical planning. This case report describes a novel technique combining the use of a three-dimensional (3D) printed surgical template for the immediate placement of an implant, with CAD/CAM technology to optimize hard and soft tissue healing after bone grafting with the use of a socket sealing abutment.

Computer-aided dental prostheses construction using reverse engineering.

PubMed

Solaberrieta, E; Minguez, R; Barrenetxea, L; Sierra, E; Etxaniz, O

2014-01-01

The implementation of computer-aided design/computer-aided manufacturing (CAD/CAM) systems with virtual articulators, which take into account the kinematics, constitutes a breakthrough in the construction of customised dental prostheses. This paper presents a multidisciplinary protocol involving CAM techniques to produce dental prostheses. This protocol includes a step-by-step procedure using innovative reverse engineering technologies to transform completely virtual design processes into customised prostheses. A special emphasis is placed on a novel method that permits a virtual location of the models. The complete workflow includes the optical scanning of the patient, the use of reverse engineering software and, if necessary, the use of rapid prototyping to produce CAD temporary prostheses.

Design and fabrication of a sleep apnea device using computer-aided design/additive manufacture technologies.

PubMed

Al Mortadi, Noor; Eggbeer, Dominic; Lewis, Jeffrey; Williams, Robert J

2013-04-01

The aim of this study was to analyze the latest innovations in additive manufacture techniques and uniquely apply them to dentistry, to build a sleep apnea device requiring rotating hinges. Laser scanning was used to capture the three-dimensional topography of an upper and lower dental cast. The data sets were imported into an appropriate computer-aided design software environment, which was used to design a sleep apnea device. This design was then exported as a stereolithography file and transferred for three-dimensional printing by an additive manufacture machine. The results not only revealed that the novel computer-based technique presented provides new design opportunities but also highlighted limitations that must be addressed before the techniques can become clinically viable.

Understanding of Electrochemical Mechanisms for CO2 Capture and Conversion into Hydrocarbon Fuels in Transition-Metal Carbides (MXenes).

PubMed

Li, Neng; Chen, Xingzhu; Ong, Wee-Jun; MacFarlane, Douglas R; Zhao, Xiujian; Cheetham, Anthony K; Sun, Chenghua

2017-11-28

Two-dimensional (2D) transition-metal (groups IV, V, VI) carbides (MXenes) with formulas M 3 C 2 have been investigated as CO 2 conversion catalysts with well-resolved density functional theory calculations. While MXenes from the group IV to VI series have demonstrated an active behavior for the capture of CO 2 , the Cr 3 C 2 and Mo 3 C 2 MXenes exhibit the most promising CO 2 to CH 4 selective conversion capabilities. Our results predicted the formation of OCHO • and HOCO • radical species in the early hydrogenation steps through spontaneous reactions. This provides atomic level insights into the computer-aided screening for high-performance catalysts and the understanding of electrochemical mechanisms for CO 2 reduction to energy-rich hydrocarbon fuels, which is of fundamental significance to elucidate the elementary steps for CO 2 fixation.

Mechanism of extractive/oxidative desulfurization using the ionic liquid inimidazole acetate: a computational study.

PubMed

Wang, Hanlu; Xu, Mingsheng; Zhou, Rujin

2017-02-01

The dual role of the ionic liquid 1-butyl-3-methyl-imidazolium trifluoroacetic acid ([C 4 mim]TFA) as an extractant for thiophene (TH) and a catalyst for the oxidation of TH was explored at the molecular level by performing density functional theory (DFT) calculations. The calculated interaction energies demonstrated why [C 4 mim]TFA is a better extractant for thiophene sulfone (THO 2 ) than for TH. Two pathways were proposed for the oxidation of TH to THO 2 with [C 4 mim]TFA acting as a catalyst. In the dominant pathway, a peracid is formed which then oxidizes TH to the sulfoxide and sulfones. The presence of [C 4 mim]TFA was found to greatly reduce the barrier to the oxidative desulfurization (ODS) of TH using H 2 O 2 as an oxidant. Graphical Abstract Possible reaction mechanisms of TH with the aid of [C4mim]TFAᅟ.

Computational Modeling of Photocatalysts for CO2 Conversion Applications

NASA Astrophysics Data System (ADS)

Tafen, De; Matranga, Christopher

2013-03-01

To make photocatalytic conversion approaches efficient, economically practical, and industrially scalable, catalysts capable of utilizing visible and near infrared photons need to be developed. Recently, a series of CdSe and PbS quantum dot-sensitized TiO2 heterostructures have been synthesized, characterized, and tested for reduction of CO2 under visible light. Following these experiments, we use density functional theory to model these heterostructured catalysts and investigate their CO2 catalytic activity. In particular, we study the nature of the heterostructure interface, charge transport/electron transfer, active sites and the electronic structures of these materials. The results will be presented and compared to experiments. The improvement of our understanding of the properties of these materials will aid not only the development of more robust, visible light active photocatalysts for carbon management applications, but also the development of quantum dot-sensitized semiconductor solar cells with high efficiencies in solar-to-electrical energy conversion.

Evaluation of direct and indirect additive manufacture of maxillofacial prostheses.

PubMed

Eggbeer, Dominic; Bibb, Richard; Evans, Peter; Ji, Lu

2012-09-01

The efficacy of computer-aided technologies in the design and manufacture of maxillofacial prostheses has not been fully proven. This paper presents research into the evaluation of direct and indirect additive manufacture of a maxillofacial prosthesis against conventional laboratory-based techniques. An implant/magnet-retained nasal prosthesis case from a UK maxillofacial unit was selected as a case study. A benchmark prosthesis was fabricated using conventional laboratory-based techniques for comparison against additive manufactured prostheses. For the computer-aided workflow, photogrammetry, computer-aided design and additive manufacture (AM) methods were evaluated in direct prosthesis body fabrication and indirect production using an additively manufactured mould. Qualitative analysis of position, shape, colour and edge quality was undertaken. Mechanical testing to ISO standards was also used to compare the silicone rubber used in the conventional prosthesis with the AM material. Critical evaluation has shown that utilising a computer-aided work-flow can produce a prosthesis body that is comparable to that produced using existing best practice. Technical limitations currently prevent the direct fabrication method demonstrated in this paper from being clinically viable. This research helps prosthesis providers understand the application of a computer-aided approach and guides technology developers and researchers to address the limitations identified.

A computer-aided design system geared toward conceptual design in a research environment. [for hypersonic vehicles

NASA Technical Reports Server (NTRS)

STACK S. H.

1981-01-01

A computer-aided design system has recently been developed specifically for the small research group environment. The system is implemented on a Prime 400 minicomputer linked with a CDC 6600 computer. The goal was to assign the minicomputer specific tasks, such as data input and graphics, thereby reserving the large mainframe computer for time-consuming analysis codes. The basic structure of the design system consists of GEMPAK, a computer code that generates detailed configuration geometry from a minimum of input; interface programs that reformat GEMPAK geometry for input to the analysis codes; and utility programs that simplify computer access and data interpretation. The working system has had a large positive impact on the quantity and quality of research performed by the originating group. This paper describes the system, the major factors that contributed to its particular form, and presents examples of its application.

USE OF COMPUTER-AIDED PROCESS ENGINEERING TOOL IN POLLUTION PREVENTION

EPA Science Inventory

Computer-Aided Process Engineering has become established in industry as a design tool. With the establishment of the CAPE-OPEN software specifications for process simulation environments. CAPE-OPEN provides a set of "middleware" standards that enable software developers to acces...

Using CAD Programs in CAL.

ERIC Educational Resources Information Center

Boardman, D.

1979-01-01

Practical experience has shown that computer aided design programs can provide an invaluable aid in the learning process when integrated into the syllabus in lecture and laboratory periods. This should be a major area of future development of computer assisted learning in engineering education. (Author/CMV)

Computer aided system for parametric design of combination die

NASA Astrophysics Data System (ADS)

Naranje, Vishal G.; Hussein, H. M. A.; Kumar, S.

2017-09-01

In this paper, a computer aided system for parametric design of combination dies is presented. The system is developed using knowledge based system technique of artificial intelligence. The system is capable to design combination dies for production of sheet metal parts having punching and cupping operations. The system is coded in Visual Basic and interfaced with AutoCAD software. The low cost of the proposed system will help die designers of small and medium scale sheet metal industries for design of combination dies for similar type of products. The proposed system is capable to reduce design time and efforts of die designers for design of combination dies.

Program Aids Specification Of Multiple-Block Grids

NASA Technical Reports Server (NTRS)

Sorenson, R. L.; Mccann, K. M.

1993-01-01

3DPREP computer program aids specification of multiple-block computational grids. Highly interactive graphical preprocessing program designed for use on powerful graphical scientific computer workstation. Divided into three main parts, each corresponding to principal graphical-and-alphanumerical display. Relieves user of some burden of collecting and formatting many data needed to specify blocks and grids, and prepares input data for NASA's 3DGRAPE grid-generating computer program.

Interactive graphical computer-aided design system

NASA Technical Reports Server (NTRS)

Edge, T. M.

1975-01-01

System is used for design, layout, and modification of large-scale-integrated (LSI) metal-oxide semiconductor (MOS) arrays. System is structured around small computer which provides real-time support for graphics storage display unit with keyboard, slave display unit, hard copy unit, and graphics tablet for designer/computer interface.

Computer-Aided Design/Computer-Assisted Manufacture Monolithic Restorations for Severely Worn Dentition: A Case History Report.

PubMed

Abou-Ayash, Samir; Boldt, Johannes; Vuck, Alexander

Full-arch rehabilitation of patients with severe tooth wear due to parafunctional behavior is a challenge for dentists and dental technicians, especially when a highly esthetic outcome is desired. A variety of different treatment options and prosthetic materials are available for such a clinical undertaking. The ongoing progress of computer-aided design/computer-assisted manufacture technologies in combination with all-ceramic materials provides a predictable workflow for these complex cases. This case history report describes a comprehensive, step-by-step treatment protocol leading to an optimally predictable treatment outcome for an esthetically compromised patient.

A computer aided engineering tool for ECLS systems

NASA Technical Reports Server (NTRS)

Bangham, Michal E.; Reuter, James L.

1987-01-01

The Computer-Aided Systems Engineering and Analysis tool used by NASA for environmental control and life support system design studies is capable of simulating atmospheric revitalization systems, water recovery and management systems, and single-phase active thermal control systems. The designer/analysis interface used is graphics-based, and allows the designer to build a model by constructing a schematic of the system under consideration. Data management functions are performed, and the program is translated into a format that is compatible with the solution routines.

Application of GA package in functional packaging

NASA Astrophysics Data System (ADS)

Belousova, D. A.; Noskova, E. E.; Kapulin, D. V.

2018-05-01

The approach to application program for the task of configuration of the elements of the commutation circuit for design of the radio-electronic equipment on the basis of the genetic algorithm is offered. The efficiency of the used approach for commutation circuits with different characteristics for computer-aided design on radio-electronic manufacturing is shown. The prototype of the computer-aided design subsystem on the basis of a package GA for R with a set of the general functions for optimization of multivariate models is programmed.

Evolution of design considerations in complex craniofacial reconstruction using patient-specific implants.

PubMed

Peel, Sean; Bhatia, Satyajeet; Eggbeer, Dominic; Morris, Daniel S; Hayhurst, Caroline

2017-06-01

Previously published evidence has established major clinical benefits from using computer-aided design, computer-aided manufacturing, and additive manufacturing to produce patient-specific devices. These include cutting guides, drilling guides, positioning guides, and implants. However, custom devices produced using these methods are still not in routine use, particularly by the UK National Health Service. Oft-cited reasons for this slow uptake include the following: a higher up-front cost than conventionally fabricated devices, material-choice uncertainty, and a lack of long-term follow-up due to their relatively recent introduction. This article identifies a further gap in current knowledge - that of design rules, or key specification considerations for complex computer-aided design/computer-aided manufacturing/additive manufacturing devices. This research begins to address the gap by combining a detailed review of the literature with first-hand experience of interdisciplinary collaboration on five craniofacial patient case studies. In each patient case, bony lesions in the orbito-temporal region were segmented, excised, and reconstructed in the virtual environment. Three cases translated these digital plans into theatre via polymer surgical guides. Four cases utilised additive manufacturing to fabricate titanium implants. One implant was machined from polyether ether ketone. From the literature, articles with relevant abstracts were analysed to extract design considerations. In all, 19 frequently recurring design considerations were extracted from previous publications. Nine new design considerations were extracted from the case studies - on the basis of subjective clinical evaluation. These were synthesised to produce a design considerations framework to assist clinicians with prescribing and design engineers with modelling. Promising avenues for further research are proposed.

Using the Continuum of Design Modelling Techniques to Aid the Development of CAD Modeling Skills in First Year Industrial Design Students

ERIC Educational Resources Information Center

Storer, I. J.; Campbell, R. I.

2012-01-01

Industrial Designers need to understand and command a number of modelling techniques to communicate their ideas to themselves and others. Verbal explanations, sketches, engineering drawings, computer aided design (CAD) models and physical prototypes are the most commonly used communication techniques. Within design, unlike some disciplines,…

Space Spurred Computer Graphics

NASA Technical Reports Server (NTRS)

1983-01-01

Dicomed Corporation was asked by NASA in the early 1970s to develop processing capabilities for recording images sent from Mars by Viking spacecraft. The company produced a film recorder which increased the intensity levels and the capability for color recording. This development led to a strong technology base resulting in sophisticated computer graphics equipment. Dicomed systems are used to record CAD (computer aided design) and CAM (computer aided manufacturing) equipment, to update maps and produce computer generated animation.

University coal research/historically black colleges and universities and other minority institutions contractors review meeting

DOE Office of Scientific and Technical Information (OSTI.GOV)

NONE

2006-07-01

A variety of papers/posters were presented on topics concerning power generation, including solid oxide fuel cells, hydrogen production, mercury as a combustion product, carbon dioxide separation from flue gas. A total of 31 presentations in slide/overview/viewgraph form and with a separate abstract are available online (one in abstract form only) and 24 poster papers (text). In addition 41 abstracts only are available. Papers of particular interest include: Hydrogen production from hydrogen sulfide in IGCC power plants; Oxidation of mercury in products of coal combustion; Computer aided design of advanced turbine aerofoil alloys for industrial gas turbines in coal fired environments;more » Developing engineered fuel using flyash and biomass; Conversion of hydrogen sulfide in coal gases to elemental sulfur with monolithic catalysts; Intelligent control via wireless sensor networks for advanced coal combustion systems; and Investment of fly ash and activated carbon obtained from pulverized coal boilers (poster).« less

Some Workplace Effects of CAD and CAM.

ERIC Educational Resources Information Center

Ebel, Karl-H.; Ulrich, Erhard

1987-01-01

Examines the impact of computer-aided design (CAD) and computer-aided manufacturing (CAM) on employment, work organization, working conditions, job content, training, and industrial relations in several countries. Finds little evidence of negative employment effects since productivity gains are offset by various compensatory factors. (Author/CH)

Society for College Science Teachers: High Technology.

ERIC Educational Resources Information Center

Menefee, Robert

1983-01-01

Presents findings of a study group on high technology charged with determining a definition, assessing current educational response, and examining implications for the future. Topics addressed include: super-techs; computer-aided design/computer-aided manufacture (CAD/CAM); structural unemployment; a two-plus-two curriculum; and educational…

A comparison of detection efficiency on an air traffic control monitoring task with and without computer aiding.

DOT National Transportation Integrated Search

1989-01-01

Future levels of air traffic control automation plan to incorporate computer aiding features designed to alert the controller to upcoming problem situations by displaying information that will identify the situation and suggest possible solutions. Co...

''Beauty of Wholeness and Beauty of Partiality.'' New Terms Defining the Concept of Beauty in Architecture in Terms of Sustainability and Computer Aided Design

ERIC Educational Resources Information Center

Farid, Ayman A.; Zaghloul, Weaam M.; Dewidar, Khaled M.

2014-01-01

The great shift in sustainability and computer aided design in the field of architecture caused a remarkable change in the architecture philosophy, new aspects of beauty and aesthetic values are being introduced, and traditional definitions for beauty cannot fully cover this aspects, which causes a gap between; new architecture works criticism and…

Adhesive Bonding to Computer-aided Design/ Computer-aided Manufacturing Esthetic Dental Materials: An Overview.

PubMed

Awad, Mohamed Moustafa; Alqahtani, H; Al-Mudahi, A; Murayshed, M S; Alrahlah, A; Bhandi, Shilpa H

2017-07-01

To review the adhesive bonding to different computer-aided design/computer-aided manufacturing (CAD/CAM) esthetic restorative materials. The use of CAD/CAM esthetic restorative materials has gained popularity in recent years. Several CAD/ CAM esthetic restorative materials are commercially available. Adhesive bonding is a major determinant of success of CAD/ CAM restorations. Review result: An account of the currently available bonding strategies are discussed with their rationale in various CAD/ CAM materials. Different surface treatment methods as well as adhesion promoters can be used to achieve reliable bonding of CAD/CAM restorative materials. Selection of bonding strategy to such material is determined based on its composition. Further evidence is required to evaluate the effect of new surface treatment methods, such as nonthermal atmospheric plasma and self-etching ceramic primer on bonding to different dental ceramics. An understanding of the currently available bonding strategies to CA/CAM materials can help the clinician to select the most indicated system for each category of materials.

Preconditioner and convergence study for the Quantum Computer Aided Design (QCAD) nonlinear poisson problem posed on the Ottawa Flat 270 design geometry.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Kalashnikova, Irina

2012-05-01

A numerical study aimed to evaluate different preconditioners within the Trilinos Ifpack and ML packages for the Quantum Computer Aided Design (QCAD) non-linear Poisson problem implemented within the Albany code base and posed on the Ottawa Flat 270 design geometry is performed. This study led to some new development of Albany that allows the user to select an ML preconditioner with Zoltan repartitioning based on nodal coordinates, which is summarized. Convergence of the numerical solutions computed within the QCAD computational suite with successive mesh refinement is examined in two metrics, the mean value of the solution (an L{sup 1} norm)more » and the field integral of the solution (L{sup 2} norm).« less

Computer program for design and performance analysis of navigation-aid power systems. Program documentation. Volume 1: Software requirements document

NASA Technical Reports Server (NTRS)

Goltz, G.; Kaiser, L. M.; Weiner, H.

1977-01-01

A computer program has been developed for designing and analyzing the performance of solar array/battery power systems for the U.S. Coast Guard Navigational Aids. This program is called the Design Synthesis/Performance Analysis (DSPA) Computer Program. The basic function of the Design Synthesis portion of the DSPA program is to evaluate functional and economic criteria to provide specifications for viable solar array/battery power systems. The basic function of the Performance Analysis portion of the DSPA program is to simulate the operation of solar array/battery power systems under specific loads and environmental conditions. This document establishes the software requirements for the DSPA computer program, discusses the processing that occurs within the program, and defines the necessary interfaces for operation.

Understanding the Electronic Structure of 4d Metal Complexes: From Molecular Spinors to L-Edge Spectra of a di-Ru Catalyst

DOE Office of Scientific and Technical Information (OSTI.GOV)

Alperovich, Igor; Smolentsev, Grigory; Moonshiram, Dooshaye

2015-09-17

L{sub 2,3}-edge X-ray absorption spectroscopy (XAS) has demonstrated unique capabilities for the analysis of the electronic structure of di-Ru complexes such as the blue dimer cis,cis-[Ru{sub 2}{sup III}O(H{sub 2}O){sub 2}(bpy){sub 4}]{sup 4+} water oxidation catalyst. Spectra of the blue dimer and the monomeric [Ru(NH{sub 3}){sub 6}]{sup 3+} model complex show considerably different splitting of the Ru L{sub 2,3} absorption edge, which reflects changes in the relative energies of the Ru 4d orbitals caused by hybridization with a bridging ligand and spin-orbit coupling effects. To aid the interpretation of spectroscopic data, we developed a new approach, which computes L{sub 2,3}-edges XASmore » spectra as dipole transitions between molecular spinors of 4d transition metal complexes. This allows for careful inclusion of the spin-orbit coupling effects and the hybridization of the Ru 4d and ligand orbitals. The obtained theoretical Ru L{sub 2,3}-edge spectra are in close agreement with experiment. Critically, existing single-electron methods (FEFF, FDMNES) broadly used to simulate XAS could not reproduce the experimental Ru L-edge spectra for the [Ru(NH{sub 3}){sub 6}]{sup 3+} model complex nor for the blue dimer, while charge transfer multiplet (CTM) calculations were not applicable due to the complexity and low symmetry of the blue dimer water oxidation catalyst. We demonstrated that L-edge spectroscopy is informative for analysis of bridging metal complexes. The developed computational approach enhances L-edge spectroscopy as a tool for analysis of the electronic structures of complexes, materials, catalysts, and reactive intermediates with 4d transition metals.« less

Computational Fluid Dynamics (CFD) simulations of a Heisenberg Vortex Tube

NASA Astrophysics Data System (ADS)

Bunge, Carl; Sitaraman, Hariswaran; Leachman, Jake

2017-11-01

A 3D Computational Fluid Dynamics (CFD) simulation of a Heisenberg Vortex Tube (HVT) is performed to estimate cooling potential with cryogenic hydrogen. The main mechanism driving operation of the vortex tube is the use of fluid power for enthalpy streaming in a highly turbulent swirl in a dual-outlet tube. This enthalpy streaming creates a temperature separation between the outer and inner regions of the flow. Use of a catalyst on the peripheral wall of the centrifuge enables endothermic conversion of para-ortho hydrogen to aid primary cooling. A κ- ɛ turbulence model is used with a cryogenic, non-ideal equation of state, and para-orthohydrogen species evolution. The simulations are validated with experiments and strategies for parametric optimization of this device are presented.

Software design studies emphasizing Project LOGOS

NASA Technical Reports Server (NTRS)

1972-01-01

The results of a research project on the development of computer software are presented. Research funds of $200,000 were expended over a three year period for software design and projects in connection with Project LOGOS (computer-aided design and certification of computing systems). Abstracts of theses prepared during the project are provided.

Computer-aided system design

NASA Technical Reports Server (NTRS)

Walker, Carrie K.

1991-01-01

A technique has been developed for combining features of a systems architecture design and assessment tool and a software development tool. This technique reduces simulation development time and expands simulation detail. The Architecture Design and Assessment System (ADAS), developed at the Research Triangle Institute, is a set of computer-assisted engineering tools for the design and analysis of computer systems. The ADAS system is based on directed graph concepts and supports the synthesis and analysis of software algorithms mapped to candidate hardware implementations. Greater simulation detail is provided by the ADAS functional simulator. With the functional simulator, programs written in either Ada or C can be used to provide a detailed description of graph nodes. A Computer-Aided Software Engineering tool developed at the Charles Stark Draper Laboratory (CSDL CASE) automatically generates Ada or C code from engineering block diagram specifications designed with an interactive graphical interface. A technique to use the tools together has been developed, which further automates the design process.

Computer Aided Approach to the Design of Y-Junction Stripline and Microstrip Ferrite Circulators

DTIC Science & Technology

1992-05-05

einO (36) n Jn(kr) J(k) A " kr J~r Finally, the Green’s function is 7 R. E. NEIDERT G(r,op ; R#¢) = X + Y X= j ZeJo(kr) 2 x Jo(kr) (37) IC n Jn(kR) - ’ n ...AD-A251 337 NRL/R ,-92-938I IIIII~ l l li i 1 11 [IIIfll li Computer Aided Approach to the Design of Y -Junction Stripline and Microstrip Ferrite...Aided Approach to the Design of Y -Junction - 62234N Stripline and Microstrip Ferrite Circulators PR - RS34R2 6. AUTHOR(S) WU - 2535-0 Robert E

Application of digital diagnostic impression, virtual planning, and computer-guided implant surgery for a CAD/CAM-fabricated, implant-supported fixed dental prosthesis: a clinical report.

PubMed

Stapleton, Brandon M; Lin, Wei-Shao; Ntounis, Athanasios; Harris, Bryan T; Morton, Dean

2014-09-01

This clinical report demonstrated the use of an implant-supported fixed dental prosthesis fabricated with a contemporary digital approach. The digital diagnostic data acquisition was completed with a digital diagnostic impression with an intraoral scanner and cone-beam computed tomography with a prefabricated universal radiographic template to design a virtual prosthetically driven implant surgical plan. A surgical template fabricated with computer-aided design and computer-aided manufacturing (CAD/CAM) was used to perform computer-guided implant surgery. The definitive digital data were then used to design the definitive CAD/CAM-fabricated fixed dental prosthesis. Copyright © 2014 Editorial Council for the Journal of Prosthetic Dentistry. Published by Elsevier Inc. All rights reserved.

CADD medicine: design is the potion that can cure my disease

NASA Astrophysics Data System (ADS)

Manas, Eric S.; Green, Darren V. S.

2017-03-01

The acronym "CADD" is often used interchangeably to refer to "Computer Aided Drug Discovery" and "Computer Aided Drug Design". While the former definition implies the use of a computer to impact one or more aspects of discovering a drug, in this paper we contend that computational chemists are most effective when they enable teams to apply true design principles as they strive to create medicines to treat human disease. We argue that teams must bring to bear multiple sub-disciplines of computational chemistry in an integrated manner in order to utilize these principles to address the multi-objective nature of the drug discovery problem. Impact, resourcing principles, and future directions for the field are also discussed, including areas of future opportunity as well as a cautionary note about hype and hubris.

Computer-aided engineering system for design of sequence arrays and lithographic masks

DOEpatents

Hubbell, Earl A.; Lipshutz, Robert J.; Morris, Macdonald S.; Winkler, James L.

1997-01-01

An improved set of computer tools for forming arrays. According to one aspect of the invention, a computer system is used to select probes and design the layout of an array of DNA or other polymers with certain beneficial characteristics. According to another aspect of the invention, a computer system uses chip design files to design and/or generate lithographic masks.

Correlating Reactivity and Selectivity to Cyclopentadienyl Ligand Properties in Rh(III)-Catalyzed C-H Activation Reactions: An Experimental and Computational Study.

PubMed

Piou, Tiffany; Romanov-Michailidis, Fedor; Romanova-Michaelides, Maria; Jackson, Kelvin E; Semakul, Natthawat; Taggart, Trevor D; Newell, Brian S; Rithner, Christopher D; Paton, Robert S; Rovis, Tomislav

2017-01-25

Cp X Rh(III)-catalyzed C-H functionalization reactions are a proven method for the efficient assembly of small molecules. However, rationalization of the effects of cyclopentadienyl (Cp X ) ligand structure on reaction rate and selectivity has been viewed as a black box, and a truly systematic study is lacking. Consequently, predicting the outcomes of these reactions is challenging because subtle variations in ligand structure can cause notable changes in reaction behavior. A predictive tool is, nonetheless, of considerable value to the community as it would greatly accelerate reaction development. Designing a data set in which the steric and electronic properties of the Cp X Rh(III) catalysts were systematically varied allowed us to apply multivariate linear regression algorithms to establish correlations between these catalyst-based descriptors and the regio-, diastereoselectivity, and rate of model reactions. This, in turn, led to the development of quantitative predictive models that describe catalyst performance. Our newly described cone angles and Sterimol parameters for Cp X ligands served as highly correlative steric descriptors in the regression models. Through rational design of training and validation sets, key diastereoselectivity outliers were identified. Computations reveal the origins of the outstanding stereoinduction displayed by these outliers. The results are consistent with partial η 5 -η 3 ligand slippage that occurs in the transition state of the selectivity-determining step. In addition to the instructive value of our study, we believe that the insights gained are transposable to other group 9 transition metals and pave the way toward rational design of C-H functionalization catalysts.

Computer-aided design of large-scale integrated circuits - A concept

NASA Technical Reports Server (NTRS)

Schansman, T. T.

1971-01-01

Circuit design and mask development sequence are improved by using general purpose computer with interactive graphics capability establishing efficient two way communications link between design engineer and system. Interactive graphics capability places design engineer in direct control of circuit development.

Computational Modeling Approaches to Multiscale Design of Icephobic Surfaces

NASA Technical Reports Server (NTRS)

Tallman, Aaron; Wang, Yan; Vargas, Mario

2017-01-01

To aid in the design of surfaces that prevent icing, a model and computational simulation of impact ice formation at the single droplet scale was implemented. The nucleation of a single supercooled droplet impacting on a substrate, in rime ice conditions, was simulated. Open source computational fluid dynamics (CFD) software was used for the simulation. To aid in the design of surfaces that prevent icing, a model of impact ice formation at the single droplet scale was proposed•No existing model simulates simultaneous impact and freezing of a single super-cooled water droplet•For the 10-week project, a low-fidelity feasibility study was the goal.

Computer-aided design and rapid prototyping-assisted contouring of costal cartilage graft for facial reconstructive surgery.

PubMed

Lee, Shu Jin; Lee, Heow Pueh; Tse, Kwong Ming; Cheong, Ee Cherk; Lim, Siak Piang

2012-06-01

Complex 3-D defects of the facial skeleton are difficult to reconstruct with freehand carving of autogenous bone grafts. Onlay bone grafts are hard to carve and are associated with imprecise graft-bone interface contact and bony resorption. Autologous cartilage is well established in ear reconstruction as it is easy to carve and is associated with minimal resorption. In the present study, we aimed to reconstruct the hypoplastic orbitozygomatic region in a patient with left hemifacial microsomia using computer-aided design and rapid prototyping to facilitate costal cartilage carving and grafting. A three-step process of (1) 3-D reconstruction of the computed tomographic image, (2) mirroring the facial skeleton, and (3) modeling and rapid prototyping of the left orbitozygomaticomalar region and reconstruction template was performed. The template aided in donor site selection and extracorporeal contouring of the rib cartilage graft to allow for an accurate fit of the graft to the bony model prior to final fixation in the patient. We are able to refine the existing computer-aided design and rapid prototyping methods to allow for extracorporeal contouring of grafts and present rib cartilage as a good alternative to bone for autologous reconstruction.

Computer aided drug design

NASA Astrophysics Data System (ADS)

Jain, A.

2017-08-01

Computer based method can help in discovery of leads and can potentially eliminate chemical synthesis and screening of many irrelevant compounds, and in this way, it save time as well as cost. Molecular modeling systems are powerful tools for building, visualizing, analyzing and storing models of complex molecular structure that can help to interpretate structure activity relationship. The use of various techniques of molecular mechanics and dynamics and software in Computer aided drug design along with statistics analysis is powerful tool for the medicinal chemistry to synthesis therapeutic and effective drugs with minimum side effect.

Reduction of low temperature engine pollutants by understanding the exhaust species interactions in a diesel oxidation catalyst.

PubMed

Lefort, I; Herreros, J M; Tsolakis, A

2014-02-18

The interactions between exhaust gas species and their effect (promotion or inhibition) on the light-off and activity of a diesel oxidation catalyst (DOC) for the removal of pollutants are studied, using actual engine exhaust gases from the combustion of diesel, alternative fuels (rapeseed methyl ester and gas-to-liquid fuel) and diesel/propane dual fuel combustion. The activity of the catalyst was recorded during a heating temperature ramp where carbon monoxide (CO) and hydrocarbon (HC) light-off curves were obtained. From the catalyst activity tests, it was found that the presence of species including CO, medium-heavy HC, alkenes, alkanes, and NOx and their concentration influence the catalyst ability to reduce CO and total HC emissions before release to the atmosphere. CO could inhibit itself and other species oxidation (e.g., light and medium-heavy hydrocarbons) while suffering from competitive adsorption with NO. Hydrocarbon species were also found to inhibit their own oxidation as well as CO through adsorption competition. On the other hand, NO2 was found to promote low temperature HC oxidation through its partial reduction, forming NO. The understanding of these exhaust species interactions within the DOC could aid the design of an efficient aftertreatment system for the removal of diesel exhaust pollutants.

A Prototype of CAD/CAM Education in the Community College.

ERIC Educational Resources Information Center

Kimmey, James R.

Drawing upon Elgin Community College's (ECC's) 7-year history of program development and operation, this paper demonstrates how ECC, in cooperation with Northern Illinois Industries, Computervision Corporation, Mazak Corporation, and the Society of Manufacturing Engineers, established a Computer-Aided Design and Drafting/Computer-Aided Machining…

29 CFR 541.401 - Computer manufacture and repair.

Code of Federal Regulations, 2014 CFR

2014-07-01

..., the use of computers and computer software programs (e.g., engineers, drafters and others skilled in computer-aided design software), but who are not primarily engaged in computer systems analysis and...

29 CFR 541.401 - Computer manufacture and repair.

Code of Federal Regulations, 2012 CFR

2012-07-01

..., the use of computers and computer software programs (e.g., engineers, drafters and others skilled in computer-aided design software), but who are not primarily engaged in computer systems analysis and...

29 CFR 541.401 - Computer manufacture and repair.

Code of Federal Regulations, 2013 CFR

2013-07-01

..., the use of computers and computer software programs (e.g., engineers, drafters and others skilled in computer-aided design software), but who are not primarily engaged in computer systems analysis and...

29 CFR 541.401 - Computer manufacture and repair.

Code of Federal Regulations, 2010 CFR

2010-07-01

..., the use of computers and computer software programs (e.g., engineers, drafters and others skilled in computer-aided design software), but who are not primarily engaged in computer systems analysis and...

Wusor II: A Computer Aided Instruction Program with Student Modelling Capabilities. AI Memo 417.

ERIC Educational Resources Information Center

Carr, Brian

Wusor II is the second intelligent computer aided instruction (ICAI) program that has been developed to monitor the progress of, and offer suggestions to, students playing Wumpus, a computer game designed to teach logical thinking and problem solving. From the earlier efforts with Wusor I, it was possible to produce a rule-based expert which…

Designers workbench: toward real-time immersive modeling

NASA Astrophysics Data System (ADS)

Kuester, Falko; Duchaineau, Mark A.; Hamann, Bernd; Joy, Kenneth I.; Ma, Kwan-Liu

2000-05-01

This paper introduces the Designers Workbench, a semi- immersive virtual environment for two-handed modeling, sculpting and analysis tasks. The paper outlines the fundamental tools, design metaphors and hardware components required for an intuitive real-time modeling system. As companies focus on streamlining productivity to cope with global competition, the migration to computer-aided design (CAD), computer-aided manufacturing, and computer-aided engineering systems has established a new backbone of modern industrial product development. However, traditionally a product design frequently originates form a clay model that, after digitization, forms the basis for the numerical description of CAD primitives. The Designers Workbench aims at closing this technology or 'digital gap' experienced by design and CAD engineers by transforming the classical design paradigm into its fully integrate digital and virtual analog allowing collaborative development in a semi- immersive virtual environment. This project emphasizes two key components form the classical product design cycle: freeform modeling and analysis. In the freedom modeling stage, content creation in the form of two-handed sculpting of arbitrary objects using polygonal, volumetric or mathematically defined primitives is emphasized, whereas the analysis component provides the tools required for pre- and post-processing steps for finite element analysis tasks applied to the created models.

Efficiency improvement of technological preparation of power equipment manufacturing

NASA Astrophysics Data System (ADS)

Milukov, I. A.; Rogalev, A. N.; Sokolov, V. P.; Shevchenko, I. V.

2017-11-01

Competitiveness of power equipment primarily depends on speeding-up the development and mastering of new equipment samples and technologies, enhancement of organisation and management of design, manufacturing and operation. Actual political, technological and economic conditions cause the acute need in changing the strategy and tactics of process planning. At that the issues of maintenance of equipment with simultaneous improvement of its efficiency and compatibility to domestically produced components are considering. In order to solve these problems, using the systems of computer-aided process planning for process design at all stages of power equipment life cycle is economically viable. Computer-aided process planning is developed for the purpose of improvement of process planning by using mathematical methods and optimisation of design and management processes on the basis of CALS technologies, which allows for simultaneous process design, process planning organisation and management based on mathematical and physical modelling of interrelated design objects and production system. An integration of computer-aided systems providing the interaction of informative and material processes at all stages of product life cycle is proposed as effective solution to the challenges in new equipment design and process planning.

Novel Fast Pyrolysis/Catalytic Technology for the Production of Stable Upgraded Liquids

DOE Office of Scientific and Technical Information (OSTI.GOV)

Oyama, Ted; Agblevor, Foster; Battaglia, Francine

The objective of the proposed research is the demonstration and development of a novel biomass pyrolysis technology for the production of a stable bio-oil. The approach is to carry out catalytic hydrodeoxygenation (HDO) and upgrading together with pyrolysis in a single fluidized bed reactor with a unique two-level design that permits the physical separation of the two processes. The hydrogen required for the HDO will be generated in the catalytic section by the water-gas shift reaction employing recycled CO produced from the pyrolysis reaction itself. Thus, the use of a reactive recycle stream is another innovation in this technology. Themore » catalysts will be designed in collaboration with BASF Catalysts LLC (formerly Engelhard Corporation), a leader in the manufacture of attrition-resistant cracking catalysts. The proposed work will include reactor modeling with state-of-the-art computational fluid dynamics in a supercomputer, and advanced kinetic analysis for optimization of bio-oil production. The stability of the bio-oil will be determined by viscosity, oxygen content, and acidity determinations in real and accelerated measurements. A multi-faceted team has been assembled to handle laboratory demonstration studies and computational analysis for optimization and scaleup.« less

The Development of a Design Database for the Computer Aided Prototyping System

DTIC Science & Technology

1991-09-01

COMPUTER AIDED PROTOTYPING SYSTEM by Andrew Patrick Dwyer Captain, United States Marine Corps B.S., Juniata College, 1980 M.B.A. Webster University...Postgraduate School, Monterey, California, May 1990. Page-Jones, M., The Practical guide to Structured Systems Design, Yourdon Press, 1980 . Rumbaugh, J. and...United States Laboratory Command Army Research Office Attn: Dr. David Hislop P. 0. Box 12211 Research Triangle Park, NC 27709-2211 50. George Mason

Computer-aided analysis and design of the shape rolling process for producing turbine engine airfoils

NASA Technical Reports Server (NTRS)

Lahoti, G. D.; Akgerman, N.; Altan, T.

1978-01-01

Mild steel (AISI 1018) was selected as model cold rolling material and Ti-6A1-4V and Inconel 718 were selected as typical hot rolling and cold rolling alloys, respectively. The flow stress and workability of these alloys were characterized and friction factor at the roll/workpiece interface was determined at their respective working conditions by conducting ring tests. Computer-aided mathematical models for predicting metal flow and stresses, and for simulating the shape rolling process were developed. These models utilized the upper bound and the slab methods of analysis, and were capable of predicting the lateral spread, roll separating force, roll torque, and local stresses, strains and strain rates. This computer-aided design system was also capable of simulating the actual rolling process, and thereby designing the roll pass schedule in rolling of an airfoil or a similar shape.

The role of culture in effective HIV/AIDS communication by theatre in South Africa

PubMed Central

Uwah, Chijioke

2014-01-01

The need to effectively communicate HIV/AIDS messages in South Africa, given the high prevalence of the pandemic, cannot be overemphasised. Communication scholars have long emphasised the need to recognise adherence to cultural norms of target communities as catalyst for effective HIV/AIDS communication. Unfortunately this call has not been totally heeded by the designers of HIV/AIDS communication instruments. In the case of theatre, research has shown that in South Africa, theatre groups have gone into communities with pre-packaged plays without due cognisance of the cultural norms and beliefs of the target population. This research was conducted in KwaZulu-Natal (the province with the highest prevalence rate of HIV/AIDS infection in South Africa). Using a qualitative research methodology this paper investigated the inclusion/non-inclusion of the cultural norms of the target population in the design of the dramatic performance by the theatre group in its HIV/AIDS campaigns. The findings indicate that while the group did try to incorporate aspects of the cultural norms of the target population, it did so at a level that failed to effectively communicate the HIV/AIDS message to its audiences. This paper therefore seeks to show through empirical evidence that the non-inclusion of cultural norms and values of the target population has acted as a stumbling block in the effective communication of HIV/AIDS messages by theatre groups in the country. PMID:24697309

An investigation of constraint-based component-modeling for knowledge representation in computer-aided conceptual design

NASA Technical Reports Server (NTRS)

Kolb, Mark A.

1990-01-01

Originally, computer programs for engineering design focused on detailed geometric design. Later, computer programs for algorithmically performing the preliminary design of specific well-defined classes of objects became commonplace. However, due to the need for extreme flexibility, it appears unlikely that conventional programming techniques will prove fruitful in developing computer aids for engineering conceptual design. The use of symbolic processing techniques, such as object-oriented programming and constraint propagation, facilitate such flexibility. Object-oriented programming allows programs to be organized around the objects and behavior to be simulated, rather than around fixed sequences of function- and subroutine-calls. Constraint propagation allows declarative statements to be understood as designating multi-directional mathematical relationships among all the variables of an equation, rather than as unidirectional assignments to the variable on the left-hand side of the equation, as in conventional computer programs. The research has concentrated on applying these two techniques to the development of a general-purpose computer aid for engineering conceptual design. Object-oriented programming techniques are utilized to implement a user-extensible database of design components. The mathematical relationships which model both geometry and physics of these components are managed via constraint propagation. In addition, to this component-based hierarchy, special-purpose data structures are provided for describing component interactions and supporting state-dependent parameters. In order to investigate the utility of this approach, a number of sample design problems from the field of aerospace engineering were implemented using the prototype design tool, Rubber Airplane. The additional level of organizational structure obtained by representing design knowledge in terms of components is observed to provide greater convenience to the program user, and to result in a database of engineering information which is easier both to maintain and to extend.

Schools (Students) Exchanging CAD/CAM Files over the Internet.

ERIC Educational Resources Information Center

Mahoney, Gary S.; Smallwood, James E.

This document discusses how students and schools can benefit from exchanging computer-aided design/computer-aided manufacturing (CAD/CAM) files over the Internet, explains how files are exchanged, and examines the problem of selected hardware/software incompatibility. Key terms associated with information search services are defined, and several…

National Survey of Computer Aided Manufacturing in Industrial Technology Programs.

ERIC Educational Resources Information Center

Heidari, Farzin

The current status of computer-aided manufacturing in the 4-year industrial technology programs in the United States was studied. All industrial technology department chairs were mailed a questionnaire divided into program information, equipment information, and general comments sections. The questionnaire was designed to determine the subjects…

CAD/CAM (Computer-Aided Design/Computer-Aided Manufacturing) Highlights.

DTIC Science & Technology

1984-10-01

ATTN: AMCRE-C/Ms. Jean Lamb C dr, ATTN: ANCRM-P/Mr. Jerry Gibson Cdr, ATTN: AMCQA-E/Mr. Billings Cdr, ATTN: AMXAM-TL/Technical Library US Army...Sands Missile Range, ATTN: STEWS -TE-TL/Technical Library Cdr, US Military Academy, ATTN: LTC Lanse Leach - - . Cdr, Yuma Proving Grounds, ATTN

Integrating computer programs for engineering analysis and design

NASA Technical Reports Server (NTRS)

Wilhite, A. W.; Crisp, V. K.; Johnson, S. C.

1983-01-01

The design of a third-generation system for integrating computer programs for engineering and design has been developed for the Aerospace Vehicle Interactive Design (AVID) system. This system consists of an engineering data management system, program interface software, a user interface, and a geometry system. A relational information system (ARIS) was developed specifically for the computer-aided engineering system. It is used for a repository of design data that are communicated between analysis programs, for a dictionary that describes these design data, for a directory that describes the analysis programs, and for other system functions. A method is described for interfacing independent analysis programs into a loosely-coupled design system. This method emphasizes an interactive extension of analysis techniques and manipulation of design data. Also, integrity mechanisms exist to maintain database correctness for multidisciplinary design tasks by an individual or a team of specialists. Finally, a prototype user interface program has been developed to aid in system utilization.

ACSYNT - A standards-based system for parametric, computer aided conceptual design of aircraft

NASA Technical Reports Server (NTRS)

Jayaram, S.; Myklebust, A.; Gelhausen, P.

1992-01-01

A group of eight US aerospace companies together with several NASA and NAVY centers, led by NASA Ames Systems Analysis Branch, and Virginia Tech's CAD Laboratory agreed, through the assistance of Americal Technology Initiative, in 1990 to form the ACSYNT (Aircraft Synthesis) Institute. The Institute is supported by a Joint Sponsored Research Agreement to continue the research and development in computer aided conceptual design of aircraft initiated by NASA Ames Research Center and Virginia Tech's CAD Laboratory. The result of this collaboration, a feature-based, parametric computer aided aircraft conceptual design code called ACSYNT, is described. The code is based on analysis routines begun at NASA Ames in the early 1970's. ACSYNT's CAD system is based entirely on the ISO standard Programmer's Hierarchical Interactive Graphics System and is graphics-device independent. The code includes a highly interactive graphical user interface, automatically generated Hermite and B-Spline surface models, and shaded image displays. Numerous features to enhance aircraft conceptual design are described.

Tuning the redox potential of vitamin K3 derivatives by oxidative functionalization using a Ag(i)/GO catalyst.

PubMed

El-Hout, S I; Suzuki, H; El-Sheikh, S M; Hassan, H M A; Harraz, F A; Ibrahim, I A; El-Sharkawy, E A; Tsujimura, S; Holzinger, M; Nishina, Y

2017-08-03

We propose herein initial results to develop optimum redox mediators by the combination of computational simulation and catalytic functionalization of the core structure of vitamin K 3 . We aim to correlate the calculated energy value of the LUMO of different vitamin K 3 derivatives with their actual redox potential. For this, we optimized the catalytic alkylation of 1,4-naphthoquinones with a designed Ag(i)/GO catalyst and synthesized a series of molecules.

COINGRAD; Control Oriented Interactive Graphical Analysis and Design.

ERIC Educational Resources Information Center

Volz, Richard A.; And Others

The computer is currently a vital tool in engineering analysis and design. With the introduction of moderately priced graphics terminals, it will become even more important in the future as rapid graphic interaction between the engineer and the computer becomes more feasible in computer-aided design (CAD). To provide a vehicle for introducing…

NAVSIM 2: A computer program for simulating aided-inertial navigation for aircraft

NASA Technical Reports Server (NTRS)

Bjorkman, William S.

1987-01-01

NAVSIM II, a computer program for analytical simulation of aided-inertial navigation for aircraft, is described. The description is supported by a discussion of the program's application to the design and analysis of aided-inertial navigation systems as well as instructions for utilizing the program and for modifying it to accommodate new models, constraints, algorithms and scenarios. NAVSIM II simulates an airborne inertial navigation system built around a strapped-down inertial measurement unit and aided in its function by GPS, Doppler radar, altimeter, airspeed, and position-fix measurements. The measurements are incorporated into the navigation estimate via a UD-form Kalman filter. The simulation was designed and implemented using structured programming techniques and with particular attention to user-friendly operation.

Computer-aided engineering system for design of sequence arrays and lithographic masks

DOEpatents

Hubbell, Earl A.; Morris, MacDonald S.; Winkler, James L.

1999-01-05

An improved set of computer tools for forming arrays. According to one aspect of the invention, a computer system (100) is used to select probes and design the layout of an array of DNA or other polymers with certain beneficial characteristics. According to another aspect of the invention, a computer system uses chip design files (104) to design and/or generate lithographic masks (110).

Computer-aided engineering system for design of sequence arrays and lithographic masks

DOEpatents

Hubbell, Earl A.; Morris, MacDonald S.; Winkler, James L.

1996-01-01

An improved set of computer tools for forming arrays. According to one aspect of the invention, a computer system (100) is used to select probes and design the layout of an array of DNA or other polymers with certain beneficial characteristics. According to another aspect of the invention, a computer system uses chip design files (104) to design and/or generate lithographic masks (110).

Computer-aided engineering system for design of sequence arrays and lithographic masks

DOEpatents

Hubbell, E.A.; Morris, M.S.; Winkler, J.L.

1999-01-05

An improved set of computer tools for forming arrays is disclosed. According to one aspect of the invention, a computer system is used to select probes and design the layout of an array of DNA or other polymers with certain beneficial characteristics. According to another aspect of the invention, a computer system uses chip design files to design and/or generate lithographic masks. 14 figs.

Computer-aided engineering system for design of sequence arrays and lithographic masks

DOEpatents

Hubbell, E.A.; Lipshutz, R.J.; Morris, M.S.; Winkler, J.L.

1997-01-14

An improved set of computer tools for forming arrays is disclosed. According to one aspect of the invention, a computer system is used to select probes and design the layout of an array of DNA or other polymers with certain beneficial characteristics. According to another aspect of the invention, a computer system uses chip design files to design and/or generate lithographic masks. 14 figs.

Computer-aided engineering system for design of sequence arrays and lithographic masks

DOEpatents

Hubbell, E.A.; Morris, M.S.; Winkler, J.L.

1996-11-05

An improved set of computer tools for forming arrays is disclosed. According to one aspect of the invention, a computer system is used to select probes and design the layout of an array of DNA or other polymers with certain beneficial characteristics. According to another aspect of the invention, a computer system uses chip design files to design and/or generate lithographic masks. 14 figs.

Project Hill-Climb: Drafting and Design in Motion

ERIC Educational Resources Information Center

Crowl, William F.

2008-01-01

This article describes the Hill-Climb project of a second level Computer-Aided Drafting and Design (CADD) class. The author primarily designed the activity to increase student understanding of the assembly drawing process and its components. The emphasis on problem solving adds a dimension that can aid students in their other classes as well. By…

Computer Aided Enzyme Design and Catalytic Concepts

PubMed Central

Frushicheva, Maria P.; Mills, Matthew J. L.; Schopf, Patrick; Singh, Manoj K.; Warshel, Arieh

2014-01-01

Gaining a deeper understanding of enzyme catalysis is of great practical and fundamental importance. Over the years it has become clear that despite advances made in experimental mutational studies, a quantitative understanding of enzyme catalysis will not be possible without the use of computer modeling approaches. While we believe that electrostatic preorganization is by far the most important catalytic factor, convincing the wider scientific community of this may require the demonstration of effective rational enzyme design. Here we make the point that the main current advances in enzyme design are basically advances in directed evolution and that computer aided enzyme design must involve approaches that can reproduce catalysis in well-defined test cases. Such an approach is provided by the empirical valence bond method. PMID:24814389

Manufacturing engineering: Principles for optimization

NASA Astrophysics Data System (ADS)

Koenig, Daniel T.

Various subjects in the area of manufacturing engineering are addressed. The topics considered include: manufacturing engineering organization concepts and management techniques, factory capacity and loading techniques, capital equipment programs, machine tool and equipment selection and implementation, producibility engineering, methods, planning and work management, and process control engineering in job shops. Also discussed are: maintenance engineering, numerical control of machine tools, fundamentals of computer-aided design/computer-aided manufacture, computer-aided process planning and data collection, group technology basis for plant layout, environmental control and safety, and the Integrated Productivity Improvement Program.

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.

NASA Tech Briefs, June 2000. Volume 24, No. 6

NASA Technical Reports Server (NTRS)

2000-01-01

Topics include: Computer-Aided Design and Engineering; Electronic Components and Circuits; Electronic Systems; Test and Measurement; Physical Sciences; Materials; Computer Programs; Computers and Peripherals;

Conceptual spacecraft systems design and synthesis

NASA Technical Reports Server (NTRS)

Wright, R. L.; Deryder, D. D.; Ferebee, M. J., Jr.

1984-01-01

An interactive systems design and synthesis is performed on future spacecraft concepts using the Interactive Design and Evaluation of Advanced Systems (IDEAS) computer-aided design and analysis system. The capabilities and advantages of the systems-oriented interactive computer-aided design and analysis system are described. The synthesis of both large antenna and space station concepts, and space station evolutionary growth designs is demonstrated. The IDEAS program provides the user with both an interactive graphics and an interactive computing capability which consists of over 40 multidisciplinary synthesis and analysis modules. Thus, the user can create, analyze, and conduct parametric studies and modify earth-orbiting spacecraft designs (space stations, large antennas or platforms, and technologically advanced spacecraft) at an interactive terminal with relative ease. The IDEAS approach is useful during the conceptual design phase of advanced space missions when a multiplicity of parameters and concepts must be analyzed and evaluated in a cost-effective and timely manner.

Computer-Aided Design Of Turbine Blades And Vanes

NASA Technical Reports Server (NTRS)

Hsu, Wayne Q.

1988-01-01

Quasi-three-dimensional method for determining aerothermodynamic configuration of turbine uses computer-interactive analysis and design and computer-interactive graphics. Design procedure executed rapidly so designer easily repeats it to arrive at best performance, size, structural integrity, and engine life. Sequence of events in aerothermodynamic analysis and design starts with engine-balance equations and ends with boundary-layer analysis and viscous-flow calculations. Analysis-and-design procedure interactive and iterative throughout.

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.

Surface Modeling, Solid Modeling and Finite Element Modeling. Analysis Capabilities of Computer-Assisted Design and Manufacturing Systems.

ERIC Educational Resources Information Center

Nee, John G.; Kare, Audhut P.

1987-01-01

Explores several concepts in computer assisted design/computer assisted manufacturing (CAD/CAM). Defines, evaluates, reviews and compares advanced computer-aided geometric modeling and analysis techniques. Presents the results of a survey to establish the capabilities of minicomputer based-systems with the CAD/CAM packages evaluated. (CW)

Integrating structure-based and ligand-based approaches for computational drug design.

PubMed

Wilson, Gregory L; Lill, Markus A

2011-04-01

Methods utilized in computer-aided drug design can be classified into two major categories: structure based and ligand based, using information on the structure of the protein or on the biological and physicochemical properties of bound ligands, respectively. In recent years there has been a trend towards integrating these two methods in order to enhance the reliability and efficiency of computer-aided drug-design approaches by combining information from both the ligand and the protein. This trend resulted in a variety of methods that include: pseudoreceptor methods, pharmacophore methods, fingerprint methods and approaches integrating docking with similarity-based methods. In this article, we will describe the concepts behind each method and selected applications.

Platform-independent method for computer aided schematic drawings

DOEpatents

Vell, Jeffrey L [Slingerlands, NY; Siganporia, Darius M [Clifton Park, NY; Levy, Arthur J [Fort Lauderdale, FL

2012-02-14

A CAD/CAM method is disclosed for a computer system to capture and interchange schematic drawing and associated design information. The schematic drawing and design information are stored in an extensible, platform-independent format.

Automatic system for computer program documentation

NASA Technical Reports Server (NTRS)

Simmons, D. B.; Elliott, R. W.; Arseven, S.; Colunga, D.

1972-01-01

Work done on a project to design an automatic system for computer program documentation aids was made to determine what existing programs could be used effectively to document computer programs. Results of the study are included in the form of an extensive bibliography and working papers on appropriate operating systems, text editors, program editors, data structures, standards, decision tables, flowchart systems, and proprietary documentation aids. The preliminary design for an automated documentation system is also included. An actual program has been documented in detail to demonstrate the types of output that can be produced by the proposed system.

Interactive systems design and synthesis of future spacecraft concepts

NASA Technical Reports Server (NTRS)

Wright, R. L.; Deryder, D. D.; Ferebee, M. J., Jr.

1984-01-01

An interactive systems design and synthesis is performed on future spacecraft concepts using the Interactive Design and Evaluation of Advanced spacecraft (IDEAS) computer-aided design and analysis system. The capabilities and advantages of the systems-oriented interactive computer-aided design and analysis system are described. The synthesis of both large antenna and space station concepts, and space station evolutionary growth is demonstrated. The IDEAS program provides the user with both an interactive graphics and an interactive computing capability which consists of over 40 multidisciplinary synthesis and analysis modules. Thus, the user can create, analyze and conduct parametric studies and modify Earth-orbiting spacecraft designs (space stations, large antennas or platforms, and technologically advanced spacecraft) at an interactive terminal with relative ease. The IDEAS approach is useful during the conceptual design phase of advanced space missions when a multiplicity of parameters and concepts must be analyzed and evaluated in a cost-effective and timely manner.

Computer Aided Learning of Mathematics: Software Evaluation

ERIC Educational Resources Information Center

Yushau, B.; Bokhari, M. A.; Wessels, D. C. J.

2004-01-01

Computer Aided Learning of Mathematics (CALM) has been in use for some time in the Prep-Year Mathematics Program at King Fahd University of Petroleum & Minerals. Different kinds of software (both locally designed and imported) have been used in the quest of optimizing the recitation/problem session hour of the mathematics classes. This paper…

CAD in der Praxis

NASA Astrophysics Data System (ADS)

Labisch, Susanna

Konstruktion und Fertigung erfolgen in der Praxis fast ausschließlich rechnerunterstützt. Mit diesem Rechnereinsatz beim Konstruieren (CAD, Computer Aided Design) und Fertigen CAM (Computer Aided Manufacturing) scheint die technische Zeichnung an Bedeutung zu verlieren, da die Verständigung zwischen Konstruktions- und Fertigungsabteilung primär durch den Austausch digitaler Daten erfolgen kann.

Computer-aided design of microvasculature systems for use in vascular scaffold production.

PubMed

Mondy, William Lafayette; Cameron, Don; Timmermans, Jean-Pierre; De Clerck, Nora; Sasov, Alexander; Casteleyn, Christophe; Piegl, Les A

2009-09-01

In vitro biomedical engineering of intact, functional vascular networks, which include capillary structures, is a prerequisite for adequate vascular scaffold production. Capillary structures are necessary since they provide the elements and compounds for the growth, function and maintenance of 3D tissue structures. Computer-aided modeling of stereolithographic (STL) micro-computer tomographic (micro-CT) 3D models is a technique that enables us to mimic the design of vascular tree systems containing capillary beds, found in tissues. In our first paper (Mondy et al 2009 Tissue Eng. at press), using micro-CT, we studied the possibility of using vascular tissues to produce data capable of aiding the design of vascular tree scaffolding, which would help in the reverse engineering of a complete vascular tree system including capillary bed structures. In this paper, we used STL models of large datasets of computer-aided design (CAD) data of vascular structures which contained capillary structures that mimic those in the dermal layers of rabbit skin. Using CAD software we created from 3D STL models a bio-CAD design for the development of capillary-containing vascular tree scaffolding for skin. This method is designed to enhance a variety of therapeutic protocols including, but not limited to, organ and tissue repair, systemic disease mediation and cell/tissue transplantation therapy. Our successful approach to in vitro vasculogenesis will allow the bioengineering of various other types of 3D tissue structures, and as such greatly expands the potential applications of biomedical engineering technology into the fields of biomedical research and medicine.

An aspartate and a water molecule mediate efficient acid-base catalysis in a tailored antibody pocket

PubMed Central

Debler, Erik W.; Müller, Roger; Hilvert, Donald; Wilson, Ian A.

2009-01-01

Design of catalysts featuring multiple functional groups is a desirable, yet formidable goal. Antibody 13G5, which accelerates the cleavage of unactivated benzisoxazoles, is one of few artificial enzymes that harness an acid and a base to achieve efficient proton transfer. X-ray structures of the Fab-hapten complexes of wild-type 13G5 and active-site variants now afford detailed insights into its mechanism. The parent antibody preorganizes AspH35 and GluL34 to abstract a proton from substrate and to orient a water molecule for leaving group stabilization, respectively. Remodeling the environment of the hydrogen bond donor with a compensatory network of ordered waters, as seen in the GluL34 to alanine mutant, leads to an impressive 109-fold rate acceleration over the nonenzymatic reaction with acetate, illustrating the utility of buried water molecules in bifunctional catalysis. Generalization of these design principles may aid in creation of catalysts for other important chemical transformations. PMID:19846764

An aspartate and a water molecule mediate efficient acid-base catalysis in a tailored antibody pocket.

PubMed

Debler, Erik W; Müller, Roger; Hilvert, Donald; Wilson, Ian A

2009-11-03

Design of catalysts featuring multiple functional groups is a desirable, yet formidable goal. Antibody 13G5, which accelerates the cleavage of unactivated benzisoxazoles, is one of few artificial enzymes that harness an acid and a base to achieve efficient proton transfer. X-ray structures of the Fab-hapten complexes of wild-type 13G5 and active-site variants now afford detailed insights into its mechanism. The parent antibody preorganizes Asp(H35) and Glu(L34) to abstract a proton from substrate and to orient a water molecule for leaving group stabilization, respectively. Remodeling the environment of the hydrogen bond donor with a compensatory network of ordered waters, as seen in the Glu(L34) to alanine mutant, leads to an impressive 10(9)-fold rate acceleration over the nonenzymatic reaction with acetate, illustrating the utility of buried water molecules in bifunctional catalysis. Generalization of these design principles may aid in creation of catalysts for other important chemical transformations.

Bio-inspired computational design of iron catalysts for the hydrogenation of carbon dioxide.

PubMed

Yang, Xinzheng

2015-08-25

Inspired by the active site structure of monoiron hydrogenase, a series of iron complexes are built using experimentally ready-made acylmethylpyridinol and aliphatic PNP pincer ligands. Density functional theory calculations indicate that the newly designed iron complexes are very promising to catalyze the formation of formic acid from H2 and CO2.

3-D Geometric Modeling for the 21st Century.

ERIC Educational Resources Information Center

Ault, Holly K.

1999-01-01

Describes new geometric computer models used in contemporary computer-aided design (CAD) software including wire frame, surface, solid, and parametric models. Reviews their use in engineering design and discusses the impact of these new technologies on the engineering design graphics curriculum. (Author/CCM)

Torsional strength of computer-aided design/computer-aided manufacturing-fabricated esthetic orthodontic brackets.

PubMed

Alrejaye, Najla; Pober, Richard; Giordano Ii, Russell

2017-01-01

To fabricate orthodontic brackets from esthetic materials and determine their fracture resistance during archwire torsion. Computer-aided design/computer-aided manufacturing technology (Cerec inLab, Sirona) was used to mill brackets with a 0.018 × 0.025-inch slot. Materials used were Paradigm MZ100 and Lava Ultimate resin composite (3M ESPE), Mark II feldspathic porcelain (Vita Zahnfabrik), and In-Ceram YZ zirconia (Vita Zahnfabrik). Ten brackets of each material were subjected to torque by a 0.018 × 0.025-inch stainless steel archwire (G&H) using a specially designed apparatus. The average moments and degrees of torsion necessary to fracture the brackets were determined and compared with those of commercially available alumina brackets, Mystique MB (Dentsply GAC). The YZ brackets were statistically significantly stronger than any other tested material in their resistance to torsion (P < .05). The mean torques at failure ranged from 3467 g.mm for Mark II to 11,902 g.mm for YZ. The mean torsion angles at failure ranged from 15.3° to 40.9°. Zirconia had the highest torsional strength among the tested esthetic brackets. Resistance of MZ100 and Lava Ultimate composite resin brackets to archwire torsion was comparable to commercially available alumina ceramic brackets.

IPAD project overview

NASA Technical Reports Server (NTRS)

Fulton, R. E.

1980-01-01

To respond to national needs for improved productivity in engineering design and manufacturing, a NASA supported joint industry/government project is underway denoted Integrated Programs for Aerospace-Vehicle Design (IPAD). The objective is to improve engineering productivity through better use of computer technology. It focuses on development of technology and associated software for integrated company-wide management of engineering information. The project has been underway since 1976 under the guidance of an Industry Technical Advisory Board (ITAB) composed of representatives of major engineering and computer companies and in close collaboration with the Air Force Integrated Computer-Aided Manufacturing (ICAM) program. Results to date on the IPAD project include an in-depth documentation of a representative design process for a large engineering project, the definition and design of computer-aided design software needed to support that process, and the release of prototype software to integrate selected design functions. Ongoing work concentrates on development of prototype software to manage engineering information, and initial software is nearing release.

NASA Tech Briefs, August 2000. Volume 24, No. 8

NASA Technical Reports Server (NTRS)

2000-01-01

Topics include: Simulation/Virtual Reality; Test and Measurement; Computer-Aided Design and Engineering; Electronic Components and Circuits; Electronic Systems; Physical Sciences; Materials; Computer Programs; Mechanics; Machinery/Automation; Manufacturing/Fabrication; Mathematics and Information Sciences; Medical Design.

Computer-Aided Apparel Design in University Curricula.

ERIC Educational Resources Information Center

Belleau, Bonnie D.; Bourgeois, Elva B.

1991-01-01

As computer-assisted design (CAD) become an integral part of the fashion industry, universities must integrate CAD into the apparel curriculum. Louisiana State University's curriculum enables students to collaborate in CAD problem solving with industry personnel. (SK)

Making Ceramic/Polymer Parts By Extrusion Stereolithography

NASA Technical Reports Server (NTRS)

Stuffle, Kevin; Mulligan, A.; Creegan, P.; Boulton, J. M.; Lombardi, J. L.; Calvert, P. D.

1996-01-01

Extrusion stereolithography developmental method of computer-controlled manufacturing of objects out of ceramic/polymer composite materials. Computer-aided design/computer-aided manufacturing (CAD/CAM) software used to create image of desired part and translate image into motion commands for combination of mechanisms moving resin dispenser. Extrusion performed in coordination with motion of dispenser so buildup of extruded material takes on size and shape of desired part. Part thermally cured after deposition.

Designers Workbench: Towards Real-Time Immersive Modeling

DOE Office of Scientific and Technical Information (OSTI.GOV)

Kuester, F; Duchaineau, M A; Hamann, B

2001-10-03

This paper introduces the DesignersWorkbench, a semi-immersive virtual environment for two-handed modeling, sculpting and analysis tasks. The paper outlines the fundamental tools, design metaphors and hardware components required for an intuitive real-time modeling system. As companies focus on streamlining productivity to cope with global competition, the migration to computer-aided design (CAD), computer-aided manufacturing (CAM), and computer-aided engineering (CAE) systems has established a new backbone of modern industrial product development. However, traditionally a product design frequently originates from a clay model that, after digitization, forms the basis for the numerical description of CAD primitives. The DesignersWorkbench aims at closing this technologymore » or ''digital gap'' experienced by design and CAD engineers by transforming the classical design paradigm into its filly integrated digital and virtual analog allowing collaborative development in a semi-immersive virtual environment. This project emphasizes two key components from the classical product design cycle: freeform modeling and analysis. In the freeform modeling stage, content creation in the form of two-handed sculpting of arbitrary objects using polygonal, volumetric or mathematically defined primitives is emphasized, whereas the analysis component provides the tools required for pre- and post-processing steps for finite element analysis tasks applied to the created models.« less

Large Signal Modeling and Analysis of the GaAs MESFET.

DTIC Science & Technology

1986-07-09

various dimensions and physical parameters. A powerful computer aided design system can be developed by automating the circuit element and parameter...circuit model of the GaAs MESFET to aid in the designs of microwave MESFET circuits. The circuit elements of this model are obtained either directly...34. -. ’ Abstract The purpose of this work is to develop a large signal signal lumped circuit model of the GaAs MESFET to aid In the designs of microwave MESFET

Design and Implementation of a Relational Database Management System for the AFIT Thesis Process.

DTIC Science & Technology

1985-09-01

AIRLIFT Gourdin 4. APPLIED MATHEMATICS Daneman Lee Na rga rsen ker 5. ARTIFICIAL INTELLEGENCE Gen et 6. CAPARILITY ASSESSMENT S Budde Talbott 31...05 ARTIFICIAL INTELLIGENCE 06 CAPABILITY ASSESSMENT 07 COMMUNIICATIONS 08 COMPUTER AIDED DESIGN 09 COMPUTER BASED TRAINING 10 COMPUTER SOFTWARE 11

A computer-aided approach to nonlinear control systhesis

NASA Technical Reports Server (NTRS)

Wie, Bong; Anthony, Tobin

1988-01-01

The major objective of this project is to develop a computer-aided approach to nonlinear stability analysis and nonlinear control system design. This goal is to be obtained by refining the describing function method as a synthesis tool for nonlinear control design. The interim report outlines the approach by this study to meet these goals including an introduction to the INteractive Controls Analysis (INCA) program which was instrumental in meeting these study objectives. A single-input describing function (SIDF) design methodology was developed in this study; coupled with the software constructed in this study, the results of this project provide a comprehensive tool for design and integration of nonlinear control systems.

A Promiscuous De Novo Retro-Aldolase Catalyzes Asymmetric Michael Additions via Schiff Base Intermediates.

PubMed

Garrabou, Xavier; Beck, Tobias; Hilvert, Donald

2015-05-04

Recent advances in computational design have enabled the development of primitive enzymes for a range of mechanistically distinct reactions. Here we show that the rudimentary active sites of these catalysts can give rise to useful chemical promiscuity. Specifically, RA95.5-8, designed and evolved as a retro-aldolase, also promotes asymmetric Michael additions of carbanions to unsaturated ketones with high rates and selectivities. The reactions proceed by amine catalysis, as indicated by mutagenesis and X-ray data. The inherent flexibility and tunability of this catalyst should make it a versatile platform for further optimization and/or mechanistic diversification by directed evolution. © 2015 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

CAD for small hydro projects

DOE Office of Scientific and Technical Information (OSTI.GOV)

Bishop, N.A. Jr.

1994-04-01

Over the past decade, computer-aided design (CAD) has become a practical and economical design tool. Today, specifying CAD hardware and software is relatively easy once you know what the design requirements are. But finding experienced CAD professionals is often more difficult. Most CAD users have only two or three years of design experience; more experienced design personnel are frequently not CAD literate. However, effective use of CAD can be the key to lowering design costs and improving design quality--a quest familiar to every manager and designer. By emphasizing computer-aided design literacy at all levels of the firm, a Canadian joint-venturemore » company that specializes in engineering small hydroelectric projects has cut costs, become more productive and improved design quality. This article describes how they did it.« less

Shaded-Color Picture Generation of Computer-Defined Arbitrary Shapes

NASA Technical Reports Server (NTRS)

Cozzolongo, J. V.; Hermstad, D. L.; Mccoy, D. S.; Clark, J.

1986-01-01

SHADE computer program generates realistic color-shaded pictures from computer-defined arbitrary shapes. Objects defined for computer representation displayed as smooth, color-shaded surfaces, including varying degrees of transparency. Results also used for presentation of computational results. By performing color mapping, SHADE colors model surface to display analysis results as pressures, stresses, and temperatures. NASA has used SHADE extensively in sign and analysis of high-performance aircraft. Industry should find applications for SHADE in computer-aided design and computer-aided manufacturing. SHADE written in VAX FORTRAN and MACRO Assembler for either interactive or batch execution.

The use of computer-aided design/manufacturing (CAD/CAM) technology to aid in the reconstruction of congenitally deficient pediatric mandibles: A case series.

PubMed

Gougoutas, Alexander J; Bastidas, Nicholas; Bartlett, Scott P; Jackson, Oksana

2015-12-01

Microvascular reconstruction of the pediatric mandible, particularly when necessitated by severe, congenital hypoplasia, presents a formidable challenge. Complex cases, however, may be simplified by computer-aided design/computer-aided manufacturing (CAD/CAM) assisted surgical planning. This series represents the senior authors' preliminary experiences with CAD/CAM assisted, microvascular reconstruction of the pediatric mandible. Presented are two patients with hemifacial/bifacial microsomia, both with profound mandibular hypoplasia, who underwent CAD/CAM assisted reconstruction of their mandibles with vascularized fibula flaps. Surgical techniques, CAD/CAM routines employed, complications, and long-term outcomes are reported. Successful mandibular reconstructions were achieved in both patients with centralization of their native mandibles and augmentation of deficient mandibular subunits. No long-term complications were observed. CAD/CAM technology can be utilized in pediatric mandibular reconstruction, and is particularly beneficial in cases of profound, congenital hypoplasia requiring extensive, multi-planar, bony reconstructions. Copyright © 2015 Elsevier Ireland Ltd. All rights reserved.

New layer-based imaging and rapid prototyping techniques for computer-aided design and manufacture of custom dental restoration.

PubMed

Lee, M-Y; Chang, C-C; Ku, Y C

2008-01-01

Fixed dental restoration by conventional methods greatly relies on the skill and experience of the dental technician. The quality and accuracy of the final product depends mostly on the technician's subjective judgment. In addition, the traditional manual operation involves many complex procedures, and is a time-consuming and labour-intensive job. Most importantly, no quantitative design and manufacturing information is preserved for future retrieval. In this paper, a new device for scanning the dental profile and reconstructing 3D digital information of a dental model based on a layer-based imaging technique, called abrasive computer tomography (ACT) was designed in-house and proposed for the design of custom dental restoration. The fixed partial dental restoration was then produced by rapid prototyping (RP) and computer numerical control (CNC) machining methods based on the ACT scanned digital information. A force feedback sculptor (FreeForm system, Sensible Technologies, Inc., Cambridge MA, USA), which comprises 3D Touch technology, was applied to modify the morphology and design of the fixed dental restoration. In addition, a comparison of conventional manual operation and digital manufacture using both RP and CNC machining technologies for fixed dental restoration production is presented. Finally, a digital custom fixed restoration manufacturing protocol integrating proposed layer-based dental profile scanning, computer-aided design, 3D force feedback feature modification and advanced fixed restoration manufacturing techniques is illustrated. The proposed method provides solid evidence that computer-aided design and manufacturing technologies may become a new avenue for custom-made fixed restoration design, analysis, and production in the 21st century.

Catalysts for oxidation of mercury in flue gas

DOEpatents

Granite, Evan J [Wexford, PA; Pennline, Henry W [Bethel Park, PA

2010-08-17

Two new classes of catalysts for the removal of heavy metal contaminants, especially mercury (Hg) from effluent gases. Both of these classes of catalysts are excellent absorbers of HCl and Cl.sub.2 present in effluent gases. This adsorption of oxidizing agents aids in the oxidation of heavy metal contaminants. The catalysts remove mercury by oxidizing the Hg into mercury (II) moieties. For one class of catalysts, the active component is selected from the group consisting of iridium (Ir) and iridum-platinum (Ir/Pt) alloys. The Ir and Ir/Pt alloy catalysts are especially corrosion resistant. For the other class of catalyst, the active component is partially combusted coal or "Thief" carbon impregnated with Cl.sub.2. Untreated Thief carbon catalyst can be self-activating in the presence of effluent gas streams. The Thief carbon catalyst is disposable by means of capture from the effluent gas stream in a particulate collection device (PCD).

Evolution of Geometric Sensitivity Derivatives from Computer Aided Design Models

NASA Technical Reports Server (NTRS)

Jones, William T.; Lazzara, David; Haimes, Robert

2010-01-01

The generation of design parameter sensitivity derivatives is required for gradient-based optimization. Such sensitivity derivatives are elusive at best when working with geometry defined within the solid modeling context of Computer-Aided Design (CAD) systems. Solid modeling CAD systems are often proprietary and always complex, thereby necessitating ad hoc procedures to infer parameter sensitivity. A new perspective is presented that makes direct use of the hierarchical associativity of CAD features to trace their evolution and thereby track design parameter sensitivity. In contrast to ad hoc methods, this method provides a more concise procedure following the model design intent and determining the sensitivity of CAD geometry directly to its respective defining parameters.

29 CFR 541.401 - Computer manufacture and repair.

Code of Federal Regulations, 2011 CFR

2011-07-01

... DEFINING AND DELIMITING THE EXEMPTIONS FOR EXECUTIVE, ADMINISTRATIVE, PROFESSIONAL, COMPUTER AND OUTSIDE..., the use of computers and computer software programs (e.g., engineers, drafters and others skilled in computer-aided design software), but who are not primarily engaged in computer systems analysis and...

COMPUTER-AIDED DRUG DISCOVERY AND DEVELOPMENT (CADDD): in silico-chemico-biological approach

PubMed Central

Kapetanovic, I.M.

2008-01-01

It is generally recognized that drug discovery and development are very time and resources consuming processes. There is an ever growing effort to apply computational power to the combined chemical and biological space in order to streamline drug discovery, design, development and optimization. In biomedical arena, computer-aided or in silico design is being utilized to expedite and facilitate hit identification, hit-to-lead selection, optimize the absorption, distribution, metabolism, excretion and toxicity profile and avoid safety issues. Commonly used computational approaches include ligand-based drug design (pharmacophore, a 3-D spatial arrangement of chemical features essential for biological activity), structure-based drug design (drug-target docking), and quantitative structure-activity and quantitative structure-property relationships. Regulatory agencies as well as pharmaceutical industry are actively involved in development of computational tools that will improve effectiveness and efficiency of drug discovery and development process, decrease use of animals, and increase predictability. It is expected that the power of CADDD will grow as the technology continues to evolve. PMID:17229415

Connecting the virtual world of computers to the real world of medicinal chemistry.

PubMed

Glen, Robert C

2011-03-01

Drug discovery involves the simultaneous optimization of chemical and biological properties, usually in a single small molecule, which modulates one of nature's most complex systems: the balance between human health and disease. The increased use of computer-aided methods is having a significant impact on all aspects of the drug-discovery and development process and with improved methods and ever faster computers, computer-aided molecular design will be ever more central to the discovery process.

CAD/CAM complete dentures: a review of two commercial fabrication systems.

PubMed

Kattadiyil, Mathew T; Goodacre, Charles J; Baba, Nadim Z

2013-06-01

The use of computer-aided design and computer-aided manufacturing (CAD/CAM) has become available for complete dentures through the AvaDent and Dentca systems. AvaDent uses laser scanning and computer technology. Teeth are arranged and bases formed using proprietary software.The bases are milled from prepolymerized pucks of resin. Dentca uses computer software to produce virtual maxillary and mandibular edentulous ridges, arrange the teeth and form bases. The dentures are fabricated using a conventional processing technique.

Computer-aided design studies of the homopolar linear synchronous motor

NASA Astrophysics Data System (ADS)

Dawson, G. E.; Eastham, A. R.; Ong, R.

1984-09-01

The linear induction motor (LIM), as an urban transit drive, can provide good grade-climbing capabilities and propulsion/braking performance that is independent of steel wheel-rail adhesion. In view of its 10-12 mm airgap, the LIM is characterized by a low power factor-efficiency product of order 0.4. A synchronous machine offers high efficiency and controllable power factor. An assessment of the linear homopolar configuration of this machine is presented as an alternative to the LIM. Computer-aided design studies using the finite element technique have been conducted to identify a suitable machine design for urban transit propulsion.

Pioneering Partnerships for Progress

ERIC Educational Resources Information Center

Borden, Sam

2006-01-01

This paper presents a brief description of the Center for Bioscience and the Integration of Computer and Telecommunications Technology (BioCATT) at Gateway Technical College in Kenosha, Wisconsin. BioCATT is designed to serve as a catalyst for innovation in educational programming, business services, and technology applications.

Applying Knowledge of Enzyme Biochemistry to the Prediction of Functional Sites for Aiding Drug Discovery.

PubMed

Pai, Priyadarshini P; Mondal, Sukanta

2017-01-01

Enzymes are biological catalysts that play an important role in determining the patterns of chemical transformations pertaining to life. Many milestones have been achieved in unraveling the mechanisms in which the enzymes orchestrate various cellular processes using experimental and computational approaches. Experimental studies generating nearly all possible mutations of target enzymes have been aided by rapid computational approaches aiming at enzyme functional classification, understanding domain organization, functional site identification. The functional architecture, essentially, is involved in binding or interaction with ligands including substrates, products, cofactors, inhibitors, providing for their function, such as in catalysis, ligand mediated cell signaling, allosteric regulation and post-translational modifications. With the increasing availability of enzyme information and advances in algorithm development, computational approaches have now become more capable of providing precise inputs for enzyme engineering, and in the process also making it more efficient. This has led to interesting findings, especially in aberrant enzyme interactions, such as hostpathogen interactions in infection, neurodegenerative diseases, cancer and diabetes. This review aims to summarize in retrospection - the mined knowledge, vivid perspectives and challenging strides in using available experimentally validated enzyme information for characterization. An analytical outlook is presented on the scope of exploring future directions. Copyright© Bentham Science Publishers; For any queries, please email at epub@benthamscience.org.

IDEAS: A multidisciplinary computer-aided conceptual design system for spacecraft

NASA Technical Reports Server (NTRS)

Ferebee, M. J., Jr.

1984-01-01

During the conceptual development of advanced aerospace vehicles, many compromises must be considered to balance economy and performance of the total system. Subsystem tradeoffs may need to be made in order to satisfy system-sensitive attributes. Due to the increasingly complex nature of aerospace systems, these trade studies have become more difficult and time-consuming to complete and involve interactions of ever-larger numbers of subsystems, components, and performance parameters. The current advances of computer-aided synthesis, modeling and analysis techniques have greatly helped in the evaluation of competing design concepts. Langley Research Center's Space Systems Division is currently engaged in trade studies for a variety of systems which include advanced ground-launched space transportation systems, space-based orbital transfer vehicles, large space antenna concepts and space stations. The need for engineering analysis tools to aid in the rapid synthesis and evaluation of spacecraft has led to the development of the Interactive Design and Evaluation of Advanced Spacecraft (IDEAS) computer-aided design system. The ADEAS system has been used to perform trade studies of competing technologies and requirements in order to pinpoint possible beneficial areas for research and development. IDEAS is presented as a multidisciplinary tool for the analysis of advanced space systems. Capabilities range from model generation and structural and thermal analysis to subsystem synthesis and performance analysis.

Persons with Alzheimer's Disease Make Phone Calls Independently Using a Computer-Aided Telephone System

ERIC Educational Resources Information Center

Perilli, Viviana; Lancioni, Giulio E.; Singh, Nirbhay N.; O'Reilly, Mark F.; Sigafoos, Jeff; Cassano, Germana; Cordiano, Noemi; Pinto, Katia; Minervini, Mauro G.; Oliva, Doretta

2012-01-01

This study assessed whether four patients with a diagnosis of Alzheimer's disease could make independent phone calls via a computer-aided telephone system. The study was carried out according to a non-concurrent multiple baseline design across participants. All participants started with baseline during which the telephone system was not available,…

A Multidisciplinary Research Team Approach to Computer-Aided Drafting (CAD) System Selection. Final Report.

ERIC Educational Resources Information Center

Franken, Ken; And Others

A multidisciplinary research team was assembled to review existing computer-aided drafting (CAD) systems for the purpose of enabling staff in the Design Drafting Department at Linn Technical College (Missouri) to select the best system out of the many CAD systems in existence. During the initial stage of the evaluation project, researchers…

Information Infrastructures for Integrated Enterprises

DTIC Science & Technology

1993-05-01

PROCESSING demographic CAM realization; ule leveling; studies; prelimi- rapid tooling; con- accounting/admin- nary CAFE and tinuous cost istrative reports...nies might consider franchising some facets of indirect labor, such as selected functions of administration, finance, and human resources. Incorporate as...vices CAFE Corporate Average Fuel Economy CAD Computer-Aided Design 0 CAE Computer-Aided Engineering CAIS Common Ada Programming Support Environment

Virtual Reality-Based Technologies in Dental Medicine: Knowledge, Attitudes and Practice among Students and Practitioners

ERIC Educational Resources Information Center

Sabalic, Maja; Schoener, Jason D.

2017-01-01

Virtual reality-based technologies have been used in dentistry for almost two decades. Dental simulators, planning software and CAD/CAM (computer-aided design/computer-aided manufacturing) systems have significantly developed over the years and changed both dental education and clinical practice. This study aimed to assess the knowledge, attitudes…

Functional Specifications for Computer Aided Training Systems Development and Management (CATSDM) Support Functions. Final Report.

ERIC Educational Resources Information Center

Hughes, John; And Others

This report provides a description of a Computer Aided Training System Development and Management (CATSDM) environment based on state-of-the-art hardware and software technology, and including recommendations for off the shelf systems to be utilized as a starting point in addressing the particular systematic training and instruction design and…

A Complete Interactive Graphical Computer-Aided Instruction System.

ERIC Educational Resources Information Center

Abrams, Steven Selby

The use of interactive graphics in computer-aided instruction systems is discussed with emphasis placed on two requirements of such a system. The first is the need to provide the teacher with a useful tool with which to design and modify teaching sessions tailored to the individual needs and capabilities of the students. The second is the…

Caesy: A software tool for computer-aided engineering

NASA Technical Reports Server (NTRS)

Wette, Matt

1993-01-01

A new software tool, Caesy, is described. This tool provides a strongly typed programming environment for research in the development of algorithms and software for computer-aided control system design. A description of the user language and its implementation as they currently stand are presented along with a description of work in progress and areas of future work.

A Design Science Research Methodology for Developing a Computer-Aided Assessment Approach Using Method Marking Concept

ERIC Educational Resources Information Center

Genemo, Hussein; Miah, Shah Jahan; McAndrew, Alasdair

2016-01-01

Assessment has been defined as an authentic method that plays an important role in evaluating students' learning attitude in acquiring lifelong knowledge. Traditional methods of assessment including the Computer-Aided Assessment (CAA) for mathematics show limited ability to assess students' full work unless multi-step questions are sub-divided…

Giga-voxel computational morphogenesis for structural design

NASA Astrophysics Data System (ADS)

Aage, Niels; Andreassen, Erik; Lazarov, Boyan S.; Sigmund, Ole

2017-10-01

In the design of industrial products ranging from hearing aids to automobiles and aeroplanes, material is distributed so as to maximize the performance and minimize the cost. Historically, human intuition and insight have driven the evolution of mechanical design, recently assisted by computer-aided design approaches. The computer-aided approach known as topology optimization enables unrestricted design freedom and shows great promise with regard to weight savings, but its applicability has so far been limited to the design of single components or simple structures, owing to the resolution limits of current optimization methods. Here we report a computational morphogenesis tool, implemented on a supercomputer, that produces designs with giga-voxel resolution—more than two orders of magnitude higher than previously reported. Such resolution provides insights into the optimal distribution of material within a structure that were hitherto unachievable owing to the challenges of scaling up existing modelling and optimization frameworks. As an example, we apply the tool to the design of the internal structure of a full-scale aeroplane wing. The optimized full-wing design has unprecedented structural detail at length scales ranging from tens of metres to millimetres and, intriguingly, shows remarkable similarity to naturally occurring bone structures in, for example, bird beaks. We estimate that our optimized design corresponds to a reduction in mass of 2-5 per cent compared to currently used aeroplane wing designs, which translates into a reduction in fuel consumption of about 40-200 tonnes per year per aeroplane. Our morphogenesis process is generally applicable, not only to mechanical design, but also to flow systems, antennas, nano-optics and micro-systems.

Giga-voxel computational morphogenesis for structural design.

PubMed

Aage, Niels; Andreassen, Erik; Lazarov, Boyan S; Sigmund, Ole

2017-10-04

In the design of industrial products ranging from hearing aids to automobiles and aeroplanes, material is distributed so as to maximize the performance and minimize the cost. Historically, human intuition and insight have driven the evolution of mechanical design, recently assisted by computer-aided design approaches. The computer-aided approach known as topology optimization enables unrestricted design freedom and shows great promise with regard to weight savings, but its applicability has so far been limited to the design of single components or simple structures, owing to the resolution limits of current optimization methods. Here we report a computational morphogenesis tool, implemented on a supercomputer, that produces designs with giga-voxel resolution-more than two orders of magnitude higher than previously reported. Such resolution provides insights into the optimal distribution of material within a structure that were hitherto unachievable owing to the challenges of scaling up existing modelling and optimization frameworks. As an example, we apply the tool to the design of the internal structure of a full-scale aeroplane wing. The optimized full-wing design has unprecedented structural detail at length scales ranging from tens of metres to millimetres and, intriguingly, shows remarkable similarity to naturally occurring bone structures in, for example, bird beaks. We estimate that our optimized design corresponds to a reduction in mass of 2-5 per cent compared to currently used aeroplane wing designs, which translates into a reduction in fuel consumption of about 40-200 tonnes per year per aeroplane. Our morphogenesis process is generally applicable, not only to mechanical design, but also to flow systems, antennas, nano-optics and micro-systems.

Fast and Accurate Circuit Design Automation through Hierarchical Model Switching.

PubMed

Huynh, Linh; Tagkopoulos, Ilias

2015-08-21

In computer-aided biological design, the trifecta of characterized part libraries, accurate models and optimal design parameters is crucial for producing reliable designs. As the number of parts and model complexity increase, however, it becomes exponentially more difficult for any optimization method to search the solution space, hence creating a trade-off that hampers efficient design. To address this issue, we present a hierarchical computer-aided design architecture that uses a two-step approach for biological design. First, a simple model of low computational complexity is used to predict circuit behavior and assess candidate circuit branches through branch-and-bound methods. Then, a complex, nonlinear circuit model is used for a fine-grained search of the reduced solution space, thus achieving more accurate results. Evaluation with a benchmark of 11 circuits and a library of 102 experimental designs with known characterization parameters demonstrates a speed-up of 3 orders of magnitude when compared to other design methods that provide optimality guarantees.

Research in the design of high-performance reconfigurable systems

NASA Technical Reports Server (NTRS)

Mcewan, S. D.; Spry, A. J.

1985-01-01

Computer aided design and computer aided manufacturing have the potential for greatly reducing the cost and lead time in the development of VLSI components. This potential paves the way for the design and fabrication of a wide variety of economically feasible high level functional units. It was observed that current computer systems have only a limited capacity to absorb new VLSI component types other than memory, microprocessors, and a relatively small number of other parts. The first purpose is to explore a system design which is capable of effectively incorporating a considerable number of VLSI part types and will both increase the speed of computation and reduce the attendant programming effort. A second purpose is to explore design techniques for VLSI parts which when incorporated by such a system will result in speeds and costs which are optimal. The proposed work may lay the groundwork for future efforts in the extensive simulation and measurements of the system's cost effectiveness and lead to prototype development.

Understanding trends in C-H bond activation in heterogeneous catalysis.

PubMed

Latimer, Allegra A; Kulkarni, Ambarish R; Aljama, Hassan; Montoya, Joseph H; Yoo, Jong Suk; Tsai, Charlie; Abild-Pedersen, Frank; Studt, Felix; Nørskov, Jens K

2017-02-01

While the search for catalysts capable of directly converting methane to higher value commodity chemicals and liquid fuels has been active for over a century, a viable industrial process for selective methane activation has yet to be developed. Electronic structure calculations are playing an increasingly relevant role in this search, but large-scale materials screening efforts are hindered by computationally expensive transition state barrier calculations. The purpose of the present letter is twofold. First, we show that, for the wide range of catalysts that proceed via a radical intermediate, a unifying framework for predicting C-H activation barriers using a single universal descriptor can be established. Second, we combine this scaling approach with a thermodynamic analysis of active site formation to provide a map of methane activation rates. Our model successfully rationalizes the available empirical data and lays the foundation for future catalyst design strategies that transcend different catalyst classes.

Understanding trends in C–H bond activation in heterogeneous catalysis

DOE PAGES

Latimer, Allegra A.; Kulkarni, Ambarish R.; Aljama, Hassan; ...

2016-10-10

While the search for catalysts capable of directly converting methane to higher value commodity chemicals and liquid fuels has been active for over a century, a viable industrial process for selective methane activation has yet to be developed1. Electronic structure calculations are playing an increasingly relevant role in this search, but large-scale materials screening efforts are hindered by computationally expensive transition state barrier calculations. The purpose of the present letter is twofold. First, we show that, for the wide range of catalysts that proceed via a radical intermediate, a unifying framework for predicting C–H activation barriers using a single universalmore » descriptor can be established. Second, we combine this scaling approach with a thermodynamic analysis of active site formation to provide a map of methane activation rates. Lastly, our model successfully rationalizes the available empirical data and lays the foundation for future catalyst design strategies that transcend different catalyst classes.« less

Understanding trends in C-H bond activation in heterogeneous catalysis

NASA Astrophysics Data System (ADS)

Latimer, Allegra A.; Kulkarni, Ambarish R.; Aljama, Hassan; Montoya, Joseph H.; Yoo, Jong Suk; Tsai, Charlie; Abild-Pedersen, Frank; Studt, Felix; Nørskov, Jens K.

2017-02-01

While the search for catalysts capable of directly converting methane to higher value commodity chemicals and liquid fuels has been active for over a century, a viable industrial process for selective methane activation has yet to be developed. Electronic structure calculations are playing an increasingly relevant role in this search, but large-scale materials screening efforts are hindered by computationally expensive transition state barrier calculations. The purpose of the present letter is twofold. First, we show that, for the wide range of catalysts that proceed via a radical intermediate, a unifying framework for predicting C-H activation barriers using a single universal descriptor can be established. Second, we combine this scaling approach with a thermodynamic analysis of active site formation to provide a map of methane activation rates. Our model successfully rationalizes the available empirical data and lays the foundation for future catalyst design strategies that transcend different catalyst classes.

Evaluation of marginal/internal fit of chrome-cobalt crowns: Direct laser metal sintering versus computer-aided design and computer-aided manufacturing.

PubMed

Gunsoy, S; Ulusoy, M

2016-01-01

The purpose of this study was to evaluate the internal and marginal fit of chrome cobalt (Co-Cr) crowns were fabricated with laser sintering, computer-aided design (CAD) and computer-aided manufacturing, and conventional methods. Polyamide master and working models were designed and fabricated. The models were initially designed with a software application for three-dimensional (3D) CAD (Maya, Autodesk Inc.). All models were fabricated models were produced by a 3D printer (EOSINT P380 SLS, EOS). 128 1-unit Co-Cr fixed dental prostheses were fabricated with four different techniques: Conventional lost wax method, milled wax with lost-wax method (MWLW), direct laser metal sintering (DLMS), and milled Co-Cr (MCo-Cr). The cement film thickness of the marginal and internal gaps was measured by an observer using a stereomicroscope after taking digital photos in ×24. Best fit rates according to mean and standard deviations of all measurements was in DLMS both in premolar (65.84) and molar (58.38) models in μm. A significant difference was found DLMS and the rest of fabrication techniques (P < 0.05). No significant difference was found between MCo-CR and MWLW in all fabrication techniques both in premolar and molar models (P > 0.05). DMLS was best fitting fabrication techniques for single crown based on the results.The best fit was found in marginal; the larger gap was found in occlusal.All groups were within the clinically acceptable misfit range.

Computational System For Rapid CFD Analysis In Engineering

NASA Technical Reports Server (NTRS)

Barson, Steven L.; Ascoli, Edward P.; Decroix, Michelle E.; Sindir, Munir M.

1995-01-01

Computational system comprising modular hardware and software sub-systems developed to accelerate and facilitate use of techniques of computational fluid dynamics (CFD) in engineering environment. Addresses integration of all aspects of CFD analysis process, including definition of hardware surfaces, generation of computational grids, CFD flow solution, and postprocessing. Incorporates interfaces for integration of all hardware and software tools needed to perform complete CFD analysis. Includes tools for efficient definition of flow geometry, generation of computational grids, computation of flows on grids, and postprocessing of flow data. System accepts geometric input from any of three basic sources: computer-aided design (CAD), computer-aided engineering (CAE), or definition by user.

Precision is essential for efficient catalysis in an evolved Kemp eliminase.

PubMed

Blomberg, Rebecca; Kries, Hajo; Pinkas, Daniel M; Mittl, Peer R E; Grütter, Markus G; Privett, Heidi K; Mayo, Stephen L; Hilvert, Donald

2013-11-21

Linus Pauling established the conceptual framework for understanding and mimicking enzymes more than six decades ago. The notion that enzymes selectively stabilize the rate-limiting transition state of the catalysed reaction relative to the bound ground state reduces the problem of design to one of molecular recognition. Nevertheless, past attempts to capitalize on this idea, for example by using transition state analogues to elicit antibodies with catalytic activities, have generally failed to deliver true enzymatic rates. The advent of computational design approaches, combined with directed evolution, has provided an opportunity to revisit this problem. Starting from a computationally designed catalyst for the Kemp elimination--a well-studied model system for proton transfer from carbon--we show that an artificial enzyme can be evolved that accelerates an elementary chemical reaction 6 × 10(8)-fold, approaching the exceptional efficiency of highly optimized natural enzymes such as triosephosphate isomerase. A 1.09 Å resolution crystal structure of the evolved enzyme indicates that familiar catalytic strategies such as shape complementarity and precisely placed catalytic groups can be successfully harnessed to afford such high rate accelerations, making us optimistic about the prospects of designing more sophisticated catalysts.

NASA Tech Briefs, February 2000. Volume 24, No. 2

NASA Technical Reports Server (NTRS)

2000-01-01

Topics covered include: Test and Measurement; Computer-Aided Design and Engineering; Electronic Components and Circuits; Electronic Systems; Physical Sciences; Materials; Computer Programs; Mechanics; Bio-Medical; Mathematics and Information Sciences; Computers and Peripherals.

A Selective Bibliography of Building Environment and Service Systems with Particular Reference to Computer Applications. Computer Report CR20.

ERIC Educational Resources Information Center

Forwood, Bruce S.

This bibliography has been produced as part of a research program attempting to develop a new approach to building environment and service systems design using computer-aided design techniques. As such it not only classifies available literature on the service systems themselves, but also contains sections on the application of computers and…

Economic Comparison of Processes Using Spreadsheet Programs

NASA Technical Reports Server (NTRS)

Ferrall, J. F.; Pappano, A. W.; Jennings, C. N.

1986-01-01

Inexpensive approach aids plant-design decisions. Commercially available electronic spreadsheet programs aid economic comparison of different processes for producing particular end products. Facilitates plantdesign decisions without requiring large expenditures for powerful mainframe computers.

Micrometric precision of prosthetic dental crowns obtained by optical scanning and computer-aided designing/computer-aided manufacturing system

NASA Astrophysics Data System (ADS)

das Neves, Flávio Domingues; de Almeida Prado Naves Carneiro, Thiago; do Prado, Célio Jesus; Prudente, Marcel Santana; Zancopé, Karla; Davi, Letícia Resende; Mendonça, Gustavo; Soares, Carlos José

2014-08-01

The current study evaluated prosthetic dental crowns obtained by optical scanning and a computer-aided designing/computer-aided manufacturing system using micro-computed tomography to compare the marginal fit. The virtual models were obtained with four different scanning surfaces: typodont (T), regular impressions (RI), master casts (MC), and powdered master casts (PMC). Five virtual models were obtained for each group. For each model, a crown was designed on the software and milled from feldspathic ceramic blocks. Micro-CT images were obtained for marginal gap measurements and the data were statistically analyzed by one-way analysis of variance followed by Tukey's test. The mean vertical misfit was T=62.6±65.2 μm; MC=60.4±38.4 μm; PMC=58.1±38.0 μm, and RI=89.8±62.8 μm. Considering a percentage of vertical marginal gap of up to 75 μm, the results were T=71.5%, RI=49.2%, MC=69.6%, and PMC=71.2%. The percentages of horizontal overextension were T=8.5%, RI=0%, MC=0.8%, and PMC=3.8%. Based on the results, virtual model acquisition by scanning the typodont (simulated mouth) or MC, with or without powder, showed acceptable values for the marginal gap. The higher result of marginal gap of the RI group suggests that it is preferable to scan this directly from the mouth or from MC.

Lotus-on-chip: computer-aided design and 3D direct laser writing of bioinspired surfaces for controlling the wettability of materials and devices.

PubMed

Lantada, Andrés Díaz; Hengsbach, Stefan; Bade, Klaus

2017-10-16

In this study we present the combination of a math-based design strategy with direct laser writing as high-precision technology for promoting solid free-form fabrication of multi-scale biomimetic surfaces. Results show a remarkable control of surface topography and wettability properties. Different examples of surfaces inspired on the lotus leaf, which to our knowledge are obtained for the first time following a computer-aided design with this degree of precision, are presented. Design and manufacturing strategies towards microfluidic systems whose fluid driving capabilities are obtained just by promoting a design-controlled wettability of their surfaces, are also discussed and illustrated by means of conceptual proofs. According to our experience, the synergies between the presented computer-aided design strategy and the capabilities of direct laser writing, supported by innovative writing strategies to promote final size while maintaining high precision, constitute a relevant step forward towards materials and devices with design-controlled multi-scale and micro-structured surfaces for advanced functionalities. To our knowledge, the surface geometry of the lotus leaf, which has relevant industrial applications thanks to its hydrophobic and self-cleaning behavior, has not yet been adequately modeled and manufactured in an additive way with the degree of precision that we present here.

Mechanistic insights into heterogeneous methane activation

DOE PAGES

Latimer, Allegra A.; Aljama, Hassan; Kakekhani, Arvin; ...

2017-01-11

While natural gas is an abundant chemical fuel, its low volumetric energy density has prompted a search for catalysts able to transform methane into more useful chemicals. This search has often been aided through the use of transition state (TS) scaling relationships, which estimate methane activation TS energies as a linear function of a more easily calculated descriptor, such as final state energy, thus avoiding tedious TS energy calculations. It has been shown that methane can be activated via a radical or surface-stabilized pathway, both of which possess a unique TS scaling relationship. Herein, we present a simple model tomore » aid in the prediction of methane activation barriers on heterogeneous catalysts. Analogous to the universal radical TS scaling relationship introduced in a previous publication, we show that a universal TS scaling relationship that transcends catalysts classes also seems to exist for surface-stabilized methane activation if the relevant final state energy is used. We demonstrate that this scaling relationship holds for several reducible and irreducible oxides, promoted metals, and sulfides. By combining the universal scaling relationships for both radical and surface-stabilized methane activation pathways, we show that catalyst reactivity must be considered in addition to catalyst geometry to obtain an accurate estimation for the TS energy. Here, this model can yield fast and accurate predictions of methane activation barriers on a wide range of catalysts, thus accelerating the discovery of more active catalysts for methane conversion.« less

Mechanistic insights into heterogeneous methane activation

DOE Office of Scientific and Technical Information (OSTI.GOV)

Latimer, Allegra A.; Aljama, Hassan; Kakekhani, Arvin

While natural gas is an abundant chemical fuel, its low volumetric energy density has prompted a search for catalysts able to transform methane into more useful chemicals. This search has often been aided through the use of transition state (TS) scaling relationships, which estimate methane activation TS energies as a linear function of a more easily calculated descriptor, such as final state energy, thus avoiding tedious TS energy calculations. It has been shown that methane can be activated via a radical or surface-stabilized pathway, both of which possess a unique TS scaling relationship. Herein, we present a simple model tomore » aid in the prediction of methane activation barriers on heterogeneous catalysts. Analogous to the universal radical TS scaling relationship introduced in a previous publication, we show that a universal TS scaling relationship that transcends catalysts classes also seems to exist for surface-stabilized methane activation if the relevant final state energy is used. We demonstrate that this scaling relationship holds for several reducible and irreducible oxides, promoted metals, and sulfides. By combining the universal scaling relationships for both radical and surface-stabilized methane activation pathways, we show that catalyst reactivity must be considered in addition to catalyst geometry to obtain an accurate estimation for the TS energy. Here, this model can yield fast and accurate predictions of methane activation barriers on a wide range of catalysts, thus accelerating the discovery of more active catalysts for methane conversion.« less

Computer-aided design and experimental investigation of a hydrodynamic device: the microwire electrode

PubMed

Fulian; Gooch; Fisher; Stevens; Compton

2000-08-01

The development and application of a new electrochemical device using a computer-aided design strategy is reported. This novel design is based on the flow of electrolyte solution past a microwire electrode situated centrally within a large duct. In the design stage, finite element simulations were employed to evaluate feasible working geometries and mass transport rates. The computer-optimized designs were then exploited to construct experimental devices. Steady-state voltammetric measurements were performed for a reversible one-electron-transfer reaction to establish the experimental relationship between electrolysis current and solution velocity. The experimental results are compared to those predicted numerically, and good agreement is found. The numerical studies are also used to establish an empirical relationship between the mass transport limited current and the volume flow rate, providing a simple and quantitative alternative for workers who would prefer to exploit this device without the need to develop the numerical aspects.

Volume accumulator design analysis computer codes

NASA Technical Reports Server (NTRS)

Whitaker, W. D.; Shimazaki, T. T.

1973-01-01

The computer codes, VANEP and VANES, were written and used to aid in the design and performance calculation of the volume accumulator units (VAU) for the 5-kwe reactor thermoelectric system. VANEP computes the VAU design which meets the primary coolant loop VAU volume and pressure performance requirements. VANES computes the performance of the VAU design, determined from the VANEP code, at the conditions of the secondary coolant loop. The codes can also compute the performance characteristics of the VAU's under conditions of possible modes of failure which still permit continued system operation.

In Vitro Evaluation of a Program for Machine-Aided Indexing.

ERIC Educational Resources Information Center

Jacquemin, Christian; Daille, Beatrice; Royaute, Jean; Polanco, Xavier

2002-01-01

Presents the human evaluation of ILIAD, a program for machine-aided indexing that was designed to assist expert librarians in computer-aided indexing and document analysis. Topics include controlled indexing and free indexing; natural language and concept-based information retrieval; evaluation methodology; syntactic variations; and a comparison…

Features of Computer-Based Decision Aids: Systematic Review, Thematic Synthesis, and Meta-Analyses.

PubMed

Syrowatka, Ania; Krömker, Dörthe; Meguerditchian, Ari N; Tamblyn, Robyn

2016-01-26

Patient information and education, such as decision aids, are gradually moving toward online, computer-based environments. Considerable research has been conducted to guide content and presentation of decision aids. However, given the relatively new shift to computer-based support, little attention has been given to how multimedia and interactivity can improve upon paper-based decision aids. The first objective of this review was to summarize published literature into a proposed classification of features that have been integrated into computer-based decision aids. Building on this classification, the second objective was to assess whether integration of specific features was associated with higher-quality decision making. Relevant studies were located by searching MEDLINE, Embase, CINAHL, and CENTRAL databases. The review identified studies that evaluated computer-based decision aids for adults faced with preference-sensitive medical decisions and reported quality of decision-making outcomes. A thematic synthesis was conducted to develop the classification of features. Subsequently, meta-analyses were conducted based on standardized mean differences (SMD) from randomized controlled trials (RCTs) that reported knowledge or decisional conflict. Further subgroup analyses compared pooled SMDs for decision aids that incorporated a specific feature to other computer-based decision aids that did not incorporate the feature, to assess whether specific features improved quality of decision making. Of 3541 unique publications, 58 studies met the target criteria and were included in the thematic synthesis. The synthesis identified six features: content control, tailoring, patient narratives, explicit values clarification, feedback, and social support. A subset of 26 RCTs from the thematic synthesis was used to conduct the meta-analyses. As expected, computer-based decision aids performed better than usual care or alternative aids; however, some features performed better than others. Integration of content control improved quality of decision making (SMD 0.59 vs 0.23 for knowledge; SMD 0.39 vs 0.29 for decisional conflict). In contrast, tailoring reduced quality of decision making (SMD 0.40 vs 0.71 for knowledge; SMD 0.25 vs 0.52 for decisional conflict). Similarly, patient narratives also reduced quality of decision making (SMD 0.43 vs 0.65 for knowledge; SMD 0.17 vs 0.46 for decisional conflict). Results were varied for different types of explicit values clarification, feedback, and social support. Integration of media rich or interactive features into computer-based decision aids can improve quality of preference-sensitive decision making. However, this is an emerging field with limited evidence to guide use. The systematic review and thematic synthesis identified features that have been integrated into available computer-based decision aids, in an effort to facilitate reporting of these features and to promote integration of such features into decision aids. The meta-analyses and associated subgroup analyses provide preliminary evidence to support integration of specific features into future decision aids. Further research can focus on clarifying independent contributions of specific features through experimental designs and refining the designs of features to improve effectiveness.

Application of computer graphics in the design of custom orthopedic implants.

PubMed

Bechtold, J E

1986-10-01

Implementation of newly developed computer modelling techniques and computer graphics displays and software have greatly aided the orthopedic design engineer and physician in creating a custom implant with good anatomic conformity in a short turnaround time. Further advances in computerized design and manufacturing will continue to simplify the development of custom prostheses and enlarge their niche in the joint replacement market.

A preliminary study on the short-term efficacy of chairside computer-aided design/computer-assisted manufacturing- generated posterior lithium disilicate crowns.

PubMed

Reich, Sven; Fischer, Sören; Sobotta, Bernhard; Klapper, Horst-Uwe; Gozdowski, Stephan

2010-01-01

The purpose of this preliminary study was to evaluate the clinical performance of chairside-generated crowns over a preliminary time period of 24 months. Forty-one posterior crowns made of a machinable lithium disilicate ceramic for full-contour crowns were inserted in 34 patients using a chairside computer-aided design/computer-assisted manufacturing technique. The crowns were evaluated at baseline and after 6, 12, and 24 months according to modified United States Public Health Service criteria. After 2 years, all reexamined crowns (n = 39) were in situ; one abutment exhibited secondary caries and two abutments received root canal treatment. Within the limited observation period, the crowns revealed clinically satisfying results.

Computer Program Re-layers Engineering Drawings

NASA Technical Reports Server (NTRS)

Crosby, Dewey C., III

1990-01-01

RULCHK computer program aids in structuring layers of information pertaining to part or assembly designed with software described in article "Software for Drawing Design Details Concurrently" (MFS-28444). Checks and optionally updates structure of layers for part. Enables designer to construct model and annotate its documentation without burden of manually layering part to conform to standards at design time.

Computational modeling and prototyping of a pediatric airway management instrument.

PubMed

Gonzalez-Cota, Alan; Kruger, Grant H; Raghavan, Padmaja; Reynolds, Paul I

2010-09-01

Anterior retraction of the tongue is used to enhance upper airway patency during pediatric fiberoptic intubation. This can be achieved by the use of Magill forceps as a tongue retractor, but lingual grip can become unsteady and traumatic. Our objective was to modify this instrument using computer-aided engineering for the purpose of stable tongue retraction. We analyzed the geometry and mechanical properties of standard Magill forceps with a combination of analytical and empirical methods. This design was captured using computer-aided design techniques to obtain a 3-dimensional model allowing further geometric refinements and mathematical testing for rapid prototyping. On the basis of our experimental findings we adjusted the design constraints to optimize the device for tongue retraction. Stereolithography prototyping was used to create a partially functional plastic model to further assess the functional and ergonomic effectiveness of the design changes. To reduce pressure on the tongue by regular Magill forceps, we incorporated (1) a larger diameter tip for better lingual tissue pressure profile, (2) a ratchet to stabilize such pressure, and (3) a soft molded tip with roughened surface to improve grip. Computer-aided engineering can be used to redesign and prototype a popular instrument used in airway management. On a computational model, our modified Magill forceps demonstrated stable retraction forces, while maintaining the original geometry and versatility. Its application in humans and utility during pediatric fiberoptic intubation are yet to be studied.

A Computer-Aided Telephone System to Enable Five Persons with Alzheimer's Disease to Make Phone Calls Independently

ERIC Educational Resources Information Center

Perilli, Viviana; Lancioni, Giulio E.; Laporta, Dominga; Paparella, Adele; Caffo, Alessandro O.; Singh, Nirbhay N.; O'Reilly, Mark F.; Sigafoos, Jeff; Oliva, Doretta

2013-01-01

This study extended the assessment of a computer-aided telephone system to enable five patients with a diagnosis of Alzheimer's disease to make phone calls independently. The patients were divided into two groups and exposed to intervention according to a non-concurrent multiple baseline design across groups. All patients started with baseline in…

Investigation of air transportation technology at Princeton University, 1990-1991

NASA Technical Reports Server (NTRS)

Stengel, Robert F.

1991-01-01

The Air Transportation Technology Program at Princeton University is a program that emphasizes graduate and undergraduate student research. The program proceeded along six avenues during the past year: microburst hazards to aircraft, intelligent failure tolerant control, computer-aided heuristics for piloted flight, stochastic robustness of flight control systems, neural networks for flight control, and computer-aided control system design.

A Comparison of the Effectiveness between Computer Aided Drafting and the Traditional Drafting Techniques as Methods of Teaching Pictorial and Multiview Drawings.

ERIC Educational Resources Information Center

Kashef, Ali E.

A study was conducted to determine the effectiveness of teaching multiview and pictorial drawing using traditional methods and using computer-aided drafting (CAD). Research used a quasi-experimental design; subjects were 37 full- and part-time undergraduate students in industrial technology or technology education courses. The students were…

Computer Aided Instruction and Problem Solving in the Teaching of Oral Diagnosis.

ERIC Educational Resources Information Center

Spencer, Judson; Gobetti, John P.

A computer-assisted instructional (CAI) program is being used at the University of Michigan School of Dentistry to aid in the teaching of oral diagnosis to dental students. The program is designed to simulate a real life situation--i.e., the diagnosis of patient illness-which would not be otherwise available to the student and to demonstrate to…

A Design of Computer Aided Instructions (CAI) for Undirected Graphs in the Discrete Math Tutorial (DMT). Part 1.

DTIC Science & Technology

1990-06-01

The objective of this thesis research is to create a tutorial for teaching aspects of undirected graphs in discrete math . It is one of the submodules...of the Discrete Math Tutorial (DMT), which is a Computer Aided Instructional (CAI) tool for teaching discrete math to the Naval Academy and the

A Design of Computer Aided Instructions (CAI) for Undirected Graphs in the Discrete Math Tutorial (DMT). Part 2

DTIC Science & Technology

1990-06-01

The objective of this thesis research is to create a tutorial for teaching aspects of undirected graphs in discrete math . It is one of the submodules...of the Discrete Math Tutorial (DMT), which is a Computer Aided Instructional (CAI) tool for teaching discrete math to the Naval Academy and the

Two Adults with Multiple Disabilities Use a Computer-Aided Telephone System to Make Phone Calls Independently

ERIC Educational Resources Information Center

Lancioni, Giulio E.; O'Reilly, Mark F.; Singh, Nirbhay N.; Sigafoos, Jeff; Oliva, Doretta; Alberti, Gloria; Lang, Russell

2011-01-01

This study extended the assessment of a newly developed computer-aided telephone system with two participants (adults) who presented with blindness or severe visual impairment and motor or motor and intellectual disabilities. For each participant, the study was carried out according to an ABAB design, in which the A represented baseline phases and…

Implementing Relational Operations in an Object-Oriented Database

DTIC Science & Technology

1992-03-01

computer aided software engineering (CASE) and computer aided design (CAD) tools. There has been some research done in the area of combining...35 2. Prograph Database Engine .................................................................. 38 III. W HY A N R/O...in most business applications where the bulk of data being stored and manipulated is simply textual or numeric data that can be stored and manipulated

Application of Particle Swarm Optimization in Computer Aided Setup Planning

NASA Astrophysics Data System (ADS)

Kafashi, Sajad; Shakeri, Mohsen; Abedini, Vahid

2011-01-01

New researches are trying to integrate computer aided design (CAD) and computer aided manufacturing (CAM) environments. The role of process planning is to convert the design specification into manufacturing instructions. Setup planning has a basic role in computer aided process planning (CAPP) and significantly affects the overall cost and quality of machined part. This research focuses on the development for automatic generation of setups and finding the best setup plan in feasible condition. In order to computerize the setup planning process, three major steps are performed in the proposed system: a) Extraction of machining data of the part. b) Analyzing and generation of all possible setups c) Optimization to reach the best setup plan based on cost functions. Considering workshop resources such as machine tool, cutter and fixture, all feasible setups could be generated. Then the problem is adopted with technological constraints such as TAD (tool approach direction), tolerance relationship and feature precedence relationship to have a completely real and practical approach. The optimal setup plan is the result of applying the PSO (particle swarm optimization) algorithm into the system using cost functions. A real sample part is illustrated to demonstrate the performance and productivity of the system.

A Fully Distributed Approach to the Design of a KBIT/SEC VHF Packet Radio Network,

DTIC Science & Technology

1984-02-01

topological change and consequent out-modea routing data. Algorithm development has been aided by computer simulation using a finite state machine technique...development has been aided by computer simulation using a finite state machine technique to model a realistic network of up to fifty nodes. This is...use of computer based equipments in weapons systems and their associated sensors and command and control elements and the trend from voice to data

NASA Tech Briefs, May 2000. Volume 24, No. 5

NASA Technical Reports Server (NTRS)

2000-01-01

Topics include: Sensors: Test and Measurement; Computer-Aided Design and Engineering; Electronic Components and Circuits; Electronic Systems; Composites and Plastics; Materials; Computer Programs; Mechanics;

Engineering specification and system design for CAD/CAM of custom shoes: UMC project effort

NASA Technical Reports Server (NTRS)

Bao, Han P.

1991-01-01

The goal of this project is to supplement the footwear design system of North Carolina State University (NCSU) with a software module to design and manufacture a combination sole. The four areas of concentration were: customization of NASCAD (NASA Computer Aided Design) to the footwear project; use of CENCIT data; computer aided manufacturing activities; and beginning work for the bottom elements of shoes. The task of generating a software module for producing a sole was completed with a demonstrated product realization. The software written in C was delivered to NCSU for inclusion in their design system for custom footwear known as LASTMOD. The machining process of the shoe last was improved using a spiral tool path approach.

A convenient catalyst for aqueous and protein Suzuki-Miyaura cross-coupling.

PubMed

Chalker, Justin M; Wood, Charlotte S C; Davis, Benjamin G

2009-11-18

A phosphine-free palladium catalyst for aqueous Suzuki-Miyaura cross-coupling is presented. The catalyst is active enough to mediate hindered, ortho-substituted biaryl couplings but mild enough for use on peptides and proteins. The Suzuki-Miyaura couplings on protein substrates are the first to proceed in useful conversions. Notably, hydrophobic aryl and vinyl groups can be transferred to the protein surface without the aid of organic solvent since the aryl- and vinylboronic acids used in the coupling are water-soluble as borate salts. The convenience and activity of this catalyst prompts use in both general synthesis and bioconjugation.

[Computer-aided method and rapid prototyping for the personalized fabrication of a silicone bandage digital prosthesis].

PubMed

Ventura Ferreira, Nuno; Leal, Nuno; Correia Sá, Inês; Reis, Ana; Marques, Marisa

2014-01-01

The fabrication of digital prostheses has acquired growing importance not only for the possibility for the patient to overcome psychosocial trauma but also to promote grip functionality. An application method of three dimensional-computer-aided design technologies for the production of passive prostheses is presented by means of a fifth finger amputee clinical case following bilateral hand replantation.Three-dimensional-computerized tomography was used for the collection of anthropometric images of the hands. Computer-aided design techniques were used to develop the digital file-based prosthesis from the reconstruction images by inversion and superimposing the contra-lateral finger images. The rapid prototyping manufacturing method was used for the production of a silicone bandage prosthesis prototype. This approach replaces the traditional manual method by a virtual method that is basis for the optimization of a high speed, accurate and innovative process.

Computer aided design and manufacturing: analysis and development of research issues

NASA Astrophysics Data System (ADS)

Taylor, K.; Jadeja, J. C.

2005-11-01

The paper focuses on the current issues in the areas of computer aided manufacturing and design. The importance of integrating CAD and CAM is analyzed. The associated issues with the integration and recent advancements in this field have been documented. The development of methods for enhancing productivity is explored. A research experiment was conducted in the laboratories of West Virginia University with an objective to portray effects of various machining parameters on production. Graphical results and their interpretations are supplied to better realize the main purpose of the experimentation.

Computer-aided design of bevel gear tooth surfaces

NASA Technical Reports Server (NTRS)

Shuo, Hung Chang; Huston, Ronald L.; Coy, John J.

1989-01-01

This paper presents a computer-aided design procedure for generating bevel gears. The development is based on examining a perfectly plastic, cone-shaped gear blank rolling over a cutting tooth on a plane crown rack. The resulting impression on the plastic gear blank is the envelope of the cutting tooth. This impression and envelope thus form a conjugate tooth surface. Equations are presented for the locus of points on the tooth surface. The same procedures are then extended to simulate the generation of a spiral bevel gear. The corresponding governing equations are presented.

Computer aided design of bevel gear tooth surfaces

NASA Technical Reports Server (NTRS)

Chang, S. H.; Huston, R. L.; Coy, J. J.

1989-01-01

This paper presents a computer-aided design procedure for generating bevel gears. The development is based on examining a perfectly plastic, cone-shaped gear blank rolling over a cutting tooth on a plane crown rack. The resulting impression on the plastic gear blank is the envelope of the cutting tooth. This impression and envelope thus form a conjugate tooth surface. Equations are presented for the locus of points on the tooth surface. The same procedures are then extended to simulate the generation of a spiral bevel gear. The corresponding governing equations are presented.

Endodontic Management of a Mandibular First Molar with Radix Entomolaris and Conservative Post-endodontic Restoration with CAD/CAM Onlay: A Novel Clinical Technique

PubMed Central

De Ataide, Ida De Noronha; Fernandes, Marina; Lambor, Rajan; Alreja, Dalip

2016-01-01

This case report describes a novel technique of restoring endodontically treated teeth. Hidden caries causing irreversible pulpitis in a mandibular molar with Radix Entomolaris (RE) was evident. The intact occlusal surface anatomy was duplicated before preparing an access cavity to replicate the original occlusal surface in the post endodontic restoration using (Computer-Aided Design and Computer-Aided Manufacturing) CAD/CAM technique. This report highlights uniquely designed onlay utilizing the benefits of contemporary materials and advanced technology. PMID:28050515

Metabolic Network Modeling for Computer-Aided Design of Microbial Interactions

DOE Office of Scientific and Technical Information (OSTI.GOV)

Song, Hyun-Seob; Nelson, William C.; Lee, Joon-Yong

Interest in applying microbial communities to biotechnology continues to increase. Successful engineering of microbial communities requires a fundamental shift in focus from enhancing metabolic capabilities in individual organisms to promoting synergistic interspecies interactions. This goal necessitates in silico tools that provide a predictive understanding of how microorganisms interact with each other and their environments. In this regard, we highlight a need for a new concept that we have termed biological computer-aided design of interactions (BioCADi). We ground this discussion within the context of metabolic network modeling.

Computer-Aided System Needs for the Technical Design Section of the Base Level Civil Engineering Squadron.

DTIC Science & Technology

1986-09-01

iUADROi THESIS James P. ’Mi’tnik First Lieutenant, USAF AFIT/GEM/DEM/86S-1 9 Approved for public release; distribution unlimited DTIC F--I F CT ESDEC 16...9 COMPUTER-AIDED SYSTEM NEEDS FOR THE TECHNICAL DESIGN SECTION OF THE BASE LEVEL CIVIL ENGINEERING SQUADRON THESIS V :-. . Presented to the Faculty...directed his own thesis and then turned around as an AFIT instructor, and helped direct mine. His suggestions, talk and ability to calm me down

Optical Micromachining

NASA Technical Reports Server (NTRS)

1998-01-01

Under an SBIR (Small Business Innovative Research) with Marshall Space Flight Center, Potomac Photonics, Inc., constructed and demonstrated a unique tool that fills a need in the area of diffractive and refractive micro-optics. It is an integrated computer-aided design and computer-aided micro-machining workstation that will extend the benefits of diffractive and micro-optic technology to optical designers. Applications of diffractive optics include sensors and monitoring equipment, analytical instruments, and fiber optic distribution and communication. The company has been making diffractive elements with the system as a commercial service for the last year.

Pt skin on AuCu intermetallic substrate: a strategy to maximize Pt utilization for fuel cells.

PubMed

Wang, Gongwei; Huang, Bing; Xiao, Li; Ren, Zhandong; Chen, Hao; Wang, Deli; Abruña, Héctor D; Lu, Juntao; Zhuang, Lin

2014-07-09

The dependence on Pt catalysts has been a major issue of proton-exchange membrane (PEM) fuel cells. Strategies to maximize the Pt utilization in catalysts include two main approaches: to put Pt atoms only at the catalyst surface and to further enhance the surface-specific catalytic activity (SA) of Pt. Thus far there has been no practical design that combines these two features into one single catalyst. Here we report a combined computational and experimental study on the design and implementation of Pt-skin catalysts with significantly improved SA toward the oxygen reduction reaction (ORR). Through screening, using density functional theory (DFT) calculations, a Pt-skin structure on AuCu(111) substrate, consisting of 1.5 monolayers of Pt, is found to have an appropriately weakened oxygen affinity, in comparison to that on Pt(111), which would be ideal for ORR catalysis. Such a structure is then realized by substituting the Cu atoms in three surface layers of AuCu intermetallic nanoparticles (AuCu iNPs) with Pt. The resulting Pt-skinned catalyst (denoted as Pt(S)AuCu iNPs) has been characterized in depth using synchrotron XRD, XPS, HRTEM, and HAADF-STEM/EDX, such that the Pt-skin structure is unambiguously identified. The thickness of the Pt skin was determined to be less than two atomic layers. Finally the catalytic activity of Pt(S)AuCu iNPs toward the ORR was measured via rotating disk electrode (RDE) voltammetry through which it was established that the SA was more than 2 times that of a commercial Pt/C catalyst. Taking into account the ultralow Pt loading in Pt(S)AuCu iNPs, the mass-specific catalytic activity (MA) was determined to be 0.56 A/mg(Pt)@0.9 V, a value that is well beyond the DOE 2017 target for ORR catalysts (0.44 A/mg(Pt)@0.9 V). These findings provide a strategic design and a realizable approach to high-performance and Pt-efficient catalysts for fuel cells.

Catalyst Bed Instability Within the USFE H2O2/JP-8 Rocket Engine

NASA Technical Reports Server (NTRS)

Johnson, Curtis W.; Anderson, William; Ross, Robert; Lyles, G. (Technical Monitor)

2000-01-01

Orbital Sciences Corporation has been awarded a contract by NASA's Marshall Space Flight Center, in cooperation with the U.S. Air Force Research Laboratory's Military Space Plane Technology Program Office, for the Upper Stage Flight Experiment (USFE) program. Orbital is designing, developing, and will flight test a new low-cost, 10,000 lbf hydrogen peroxide/ JP-8 pressure fed liquid rocket. During combustion chamber tests at NASA Stennis Space Center (SSC) of the USFE engine, the catalyst bed showed a low frequency instability occurring as the H202 flow reached about 1/3 its design rate. This paper reviews the USFE catalyst bed and combustion chamber and its operation, then discusses the dynamics of the instability. Next the paper describes the dynamic computer model used to recreate the instability. The model was correlated to the SSC test data, and used to investigate possible solutions to the problem. The combustion chamber configuration which solved the instability is shown, and the subsequent stable operation presented.

REFERENCE MANUAL FOR RASSMIT VERSION 2.1: SUB-SLAB DEPRESSURIZATION SYSTEM DESIGN PERFORMANCE SIMULATION PROGRAM

EPA Science Inventory

The report is a reference manual for RASSMlT Version 2.1, a computer program that was developed to simulate and aid in the design of sub-slab depressurization systems used for indoor radon mitigation. The program was designed to run on DOS-compatible personal computers to ensure ...

DOSESCREEN: a computer program to aid dose placement

Treesearch

Kimberly C. Smith; Jacqueline L. Robertson

1984-01-01

Careful selection of an experimental design for a bioassay substantially improves the precision of effective dose (ED) estimates. Design considerations typically include determination of sample size, dose selection, and allocation of subjects to doses. DOSESCREEN is a computer program written to help investigators select an efficient design for the estimation of an...

Tying Theory To Practice: Cognitive Aspects of Computer Interaction in the Design Process.

ERIC Educational Resources Information Center

Mikovec, Amy E.; Dake, Dennis M.

The new medium of computer-aided design requires changes to the creative problem-solving methodologies typically employed in the development of new visual designs. Most theoretical models of creative problem-solving suggest a linear progression from preparation and incubation to some type of evaluative study of the "inspiration." These…

Inverting Steric Effects: Using "Attractive" Noncovalent Interactions To Direct Silver-Catalyzed Nitrene Transfer.

PubMed

Huang, Minxue; Yang, Tzuhsiung; Paretsky, Jonathan D; Berry, John F; Schomaker, Jennifer M

2017-12-06

Nitrene transfer (NT) reactions represent powerful and direct methods to convert C-H bonds into amine groups that are prevalent in many commodity chemicals and pharmaceuticals. The importance of the C-N bond has stimulated the development of numerous transition-metal complexes to effect chemo-, regio-, and diastereoselective NT. An ongoing challenge is to understand how subtle interactions between catalyst and substrate influence the site-selectivity of the C-H amination event. In this work, we explore the underlying reasons why Ag(tpa)OTf (tpa = tris(pyridylmethyl)amine) prefers to activate α-conjugated C-H bonds over 3° alkyl C(sp 3 )-H bonds and apply these insights to reaction optimization and catalyst design. Experimental results suggest possible roles of noncovalent interactions (NCIs) in directing the NT; computational studies support the involvement of π···π and Ag···π interactions between catalyst and substrate, primarily by lowering the energy of the directed transition state and reaction conformers. A simple Hess's law relationship can be employed to predict selectivities for new substrates containing competing NCIs. The insights presented herein are poised to inspire the design of other catalyst-controlled C-H functionalization reactions.

Design of Computer-aided Instruction for Radiology Interpretation: The Role of Cognitive Task Analysis

PubMed Central

Pusic, Martin V.; LeBlanc, Vicki; Patel, Vimla L.

2001-01-01

Traditional task analysis for instructional design has emphasized the importance of precisely defining behavioral educational objectives and working back to select objective-appropriate instructional strategies. However, this approach may miss effective strategies. Cognitive task analysis, on the other hand, breaks a process down into its component knowledge representations. Selection of instructional strategies based on all such representations in a domain is likely to lead to optimal instructional design. In this demonstration, using the interpretation of cervical spine x-rays as an educational example, we show how a detailed cognitive task analysis can guide the development of computer-aided instruction.

First-Principles Design of Novel Catalytic and Chemoresponsive Materials

NASA Astrophysics Data System (ADS)

Roling, Luke T.

An emerging trend in materials design is the use of computational chemistry tools to accelerate materials discovery and implementation. In particular, the parallel nature of computational models enables high-throughput screening approaches that would be laborious and time-consuming with experiments alone, and can be useful for identifying promising candidate materials for experimental synthesis and evaluation. Additionally, atomic-scale modeling allows researchers to obtain a detailed understanding of phenomena invisible to many current experimental techniques. In this thesis, we highlight mechanistic studies and successes in catalyst design for heterogeneous electrochemical reactions, discussing both anode and cathode chemistries. In particular, we evaluate the properties of a new class of Pd-Pt core-shell and hollow nanocatalysts toward the oxygen reduction reaction. We do not limit our study to electrochemical reactivity, but also consider these catalysts in a broader context by performing in-depth studies of their stability at elevated temperatures as well as investigating the mechanisms by which they are able to form. We also present fundamental surface science studies, investigating graphene formation and H2 dissociation, which are processes of both fundamental and practical interest in many catalytic applications. Finally, we extend our materials design paradigm outside the field of catalysis to develop and apply a model for the detection of small chemical analytes by chemoresponsive liquid crystals, and offer several predictions for improving the detection of small chemicals. A close connection between computation, synthesis, and experimental evaluation is essential to the work described herein, as computations are used to gain fundamental insight into experimental observations, and experiments and synthesis are in turn used to validate predictions of material activities from computational models.

Center for Interface Science and Catalysis | Theory

Science.gov Websites

& Stanford School of Engineering Toggle navigation Home Research Publications People About Academic to overcome challenges associated with the atomic-scale design of catalysts for chemical computational methods we are developing a quantitative description of chemical processes at the solid-gas and

CAD/CAM/AM applications in the manufacture of dental appliances.

PubMed

Al Mortadi, Noor; Eggbeer, Dominic; Lewis, Jeffrey; Williams, Robert J

2012-11-01

The purposes of this study were to apply the latest developments in additive manufacturing (AM) construction and to evaluate the effectiveness of these computer-aided design and computer-aided manufacturing (CAD/CAM) techniques in the production of dental appliances. In addition, a new method of incorporating wire into a single build was developed. A scanner was used to capture 3-dimensional images of Class II Division 1 dental models that were translated onto a 2-dimensional computer screen. Andresen and sleep-apnea devices were designed in 3 dimensions by using FreeForm software (version 11; Geo Magics SensAble Group, Wilmington, Mass) and a phantom arm. The design was then exported and transferred to an AM machine for building. Copyright © 2012 American Association of Orthodontists. Published by Mosby, Inc. All rights reserved.

Increased Diels-Alderase activity through backbone remodeling guided by Foldit players.

PubMed

Eiben, Christopher B; Siegel, Justin B; Bale, Jacob B; Cooper, Seth; Khatib, Firas; Shen, Betty W; Players, Foldit; Stoddard, Barry L; Popovic, Zoran; Baker, David

2012-01-22

Computational enzyme design holds promise for the production of renewable fuels, drugs and chemicals. De novo enzyme design has generated catalysts for several reactions, but with lower catalytic efficiencies than naturally occurring enzymes. Here we report the use of game-driven crowdsourcing to enhance the activity of a computationally designed enzyme through the functional remodeling of its structure. Players of the online game Foldit were challenged to remodel the backbone of a computationally designed bimolecular Diels-Alderase to enable additional interactions with substrates. Several iterations of design and characterization generated a 24-residue helix-turn-helix motif, including a 13-residue insertion, that increased enzyme activity >18-fold. X-ray crystallography showed that the large insertion adopts a helix-turn-helix structure positioned as in the Foldit model. These results demonstrate that human creativity can extend beyond the macroscopic challenges encountered in everyday life to molecular-scale design problems.

Flexible structure control experiments using a real-time workstation for computer-aided control engineering

NASA Technical Reports Server (NTRS)

Stieber, Michael E.

1989-01-01

A Real-Time Workstation for Computer-Aided Control Engineering has been developed jointly by the Communications Research Centre (CRC) and Ruhr-Universitaet Bochum (RUB), West Germany. The system is presently used for the development and experimental verification of control techniques for large space systems with significant structural flexibility. The Real-Time Workstation essentially is an implementation of RUB's extensive Computer-Aided Control Engineering package KEDDC on an INTEL micro-computer running under the RMS real-time operating system. The portable system supports system identification, analysis, control design and simulation, as well as the immediate implementation and test of control systems. The Real-Time Workstation is currently being used by CRC to study control/structure interaction on a ground-based structure called DAISY, whose design was inspired by a reflector antenna. DAISY emulates the dynamics of a large flexible spacecraft with the following characteristics: rigid body modes, many clustered vibration modes with low frequencies and extremely low damping. The Real-Time Workstation was found to be a very powerful tool for experimental studies, supporting control design and simulation, and conducting and evaluating tests withn one integrated environment.

Interface between a printed circuit board computer aided design tool (Tektronix 4051 based) and a numerical paper tape controlled drill press (Slo-Syn 530: 100 w/ Dumore Automatic Head Number 8391)

DOE Office of Scientific and Technical Information (OSTI.GOV)

Heckman, B.K.; Chinn, V.K.

1981-01-01

The development and use of computer programs written to produce the paper tape needed for the automation, or numeric control, of drill presses employed to fabricate computed-designed printed circuit boards are described. (LCL)

Direct instrumental identification of catalytically active surface sites

NASA Astrophysics Data System (ADS)

Pfisterer, Jonas H. K.; Liang, Yunchang; Schneider, Oliver; Bandarenka, Aliaksandr S.

2017-09-01

The activity of heterogeneous catalysts—which are involved in some 80 per cent of processes in the chemical and energy industries—is determined by the electronic structure of specific surface sites that offer optimal binding of reaction intermediates. Directly identifying and monitoring these sites during a reaction should therefore provide insight that might aid the targeted development of heterogeneous catalysts and electrocatalysts (those that participate in electrochemical reactions) for practical applications. The invention of the scanning tunnelling microscope (STM) and the electrochemical STM promised to deliver such imaging capabilities, and both have indeed contributed greatly to our atomistic understanding of heterogeneous catalysis. But although the STM has been used to probe and initiate surface reactions, and has even enabled local measurements of reactivity in some systems, it is not generally thought to be suited to the direct identification of catalytically active surface sites under reaction conditions. Here we demonstrate, however, that common STMs can readily map the catalytic activity of surfaces with high spatial resolution: we show that by monitoring relative changes in the tunnelling current noise, active sites can be distinguished in an almost quantitative fashion according to their ability to catalyse the hydrogen-evolution reaction or the oxygen-reduction reaction. These data allow us to evaluate directly the importance and relative contribution to overall catalyst activity of different defects and sites at the boundaries between two materials. With its ability to deliver such information and its ready applicability to different systems, we anticipate that our method will aid the rational design of heterogeneous catalysts.

Biomimetic design processes in architecture: morphogenetic and evolutionary computational design.

PubMed

Menges, Achim

2012-03-01

Design computation has profound impact on architectural design methods. This paper explains how computational design enables the development of biomimetic design processes specific to architecture, and how they need to be significantly different from established biomimetic processes in engineering disciplines. The paper first explains the fundamental difference between computer-aided and computational design in architecture, as the understanding of this distinction is of critical importance for the research presented. Thereafter, the conceptual relation and possible transfer of principles from natural morphogenesis to design computation are introduced and the related developments of generative, feature-based, constraint-based, process-based and feedback-based computational design methods are presented. This morphogenetic design research is then related to exploratory evolutionary computation, followed by the presentation of two case studies focusing on the exemplary development of spatial envelope morphologies and urban block morphologies.

CT-assisted agile manufacturing

NASA Astrophysics Data System (ADS)

Stanley, James H.; Yancey, Robert N.

1996-11-01

The next century will witness at least two great revolutions in the way goods are produced. First, workers will use the medium of virtual reality in all aspects of marketing, research, development, prototyping, manufacturing, sales and service. Second, market forces will drive manufacturing towards small-lot production and just-in-time delivery. Already, we can discern the merging of these megatrends into what some are calling agile manufacturing. Under this new paradigm, parts and processes will be designed and engineered within the mind of a computer, tooled and manufactured by the offspring of today's rapid prototyping equipment, and evaluated for performance and reliability by advanced nondestructive evaluation (NDE) techniques and sophisticated computational models. Computed tomography (CT) is the premier example of an NDE method suitable for future agile manufacturing activities. It is the only modality that provides convenient access to the full suite of engineering data that users will need to avail themselves of computer- aided design, computer-aided manufacturing, and computer- aided engineering capabilities, as well as newly emerging reverse engineering, rapid prototyping and solid freeform fabrication technologies. As such, CT is assured a central, utilitarian role in future industrial operations. An overview of this exciting future for industrial CT is presented.

Digital Workflow for Computer-Guided Implant Surgery in Edentulous Patients: A Case Report.

PubMed

Oh, Ji-Hyeon; An, Xueyin; Jeong, Seung-Mi; Choi, Byung-Ho

2017-12-01

The purpose of this article was to describe a fully digital workflow used to perform computer-guided flapless implant placement in an edentulous patient without the use of conventional impressions, models, or a radiographic guide. Digital data for the workflow were acquired using an intraoral scanner and cone-beam computed tomography (CBCT). The image fusion of the intraoral scan data and CBCT data was performed by matching resin markers placed in the patient's mouth. The definitive digital data were used to design a prosthetically driven implant position, surgical template, and computer-aided design and computer-aided manufacturing fabricated fixed dental prosthesis. The authors believe this is the first published case describing such a technique in computer-guided flapless implant surgery for edentulous patients. Copyright © 2017 American Association of Oral and Maxillofacial Surgeons. Published by Elsevier Inc. All rights reserved.

When Is Ligand p Ka a Good Descriptor for Catalyst Energetics? In Search of Optimal CO2 Hydration Catalysts.

PubMed

Kim, Jeong Yun; Kulik, Heather J

2018-05-10

We present a detailed study of nearly 70 Zn molecular catalysts for CO 2 hydration from four diverse ligand classes ranging from well-studied carbonic anhydrase mimics (e.g., cyclen) to new structures we obtain by leveraging diverse hits from large organic libraries. Using microkinetic analysis and establishing linear free energy relationships, we confirm that turnover is sensitive to the relative thermodynamic stability of reactive hydroxyl and bound bicarbonate moieties. We observe a wide range of thermodynamic stabilities for these intermediates, showing up to 6 kcal/mol improvement over well-studied cyclen catalysts. We observe a good correlation between the p K a of the Zn-OH 2 moiety and the resulting relative stability of hydroxyl moieties over bicarbonate, which may be rationalized by the dominant effect of the difference in higher Zn-OH bond order in comparison to weaker bonding in bicarbonate and water. A direct relationship is identified between isolated organic ligand p K a and the p K a of a bound water molecule on the catalyst. Thus, organic ligand p K a , which is intuitive, easy to compute or tabulate, and much less sensitive to electronic structure method choice than whole-catalyst properties, is a good quantitative descriptor for predicting the effect of through-bond electronic effects on relative CO 2 hydration energetics. We expect this to be applicable to other reactions where is it essential to stabilize turnover-determining hydroxyl species with respect to more weakly bound moieties. Finally, we note exceptions for rigid ligands (e.g., porphyrins) that are observed to preferentially stabilize hydroxyl over bicarbonate without reducing p K a values as substantially. We expect the strategy outlined here, to (i) curate diverse ligands from large organic libraries and (ii) identify when ligand-only properties can determine catalyst energetics, to be broadly useful for both experimental and computational catalyst design.

Deep-reasoning fault diagnosis - An aid and a model

NASA Technical Reports Server (NTRS)

Yoon, Wan Chul; Hammer, John M.

1988-01-01

The design and evaluation are presented for the knowledge-based assistance of a human operator who must diagnose a novel fault in a dynamic, physical system. A computer aid based on a qualitative model of the system was built to help the operators overcome some of their cognitive limitations. This aid differs from most expert systems in that it operates at several levels of interaction that are believed to be more suitable for deep reasoning. Four aiding approaches, each of which provided unique information to the operator, were evaluated. The aiding features were designed to help the human's casual reasoning about the system in predicting normal system behavior (N aiding), integrating observations into actual system behavior (O aiding), finding discrepancies between the two (O-N aiding), or finding discrepancies between observed behavior and hypothetical behavior (O-HN aiding). Human diagnostic performance was found to improve by almost a factor of two with O aiding and O-N aiding.

Creation of a 3-dimensional virtual dental patient for computer-guided surgery and CAD-CAM interim complete removable and fixed dental prostheses: A clinical report.

PubMed

Harris, Bryan T; Montero, Daniel; Grant, Gerald T; Morton, Dean; Llop, Daniel R; Lin, Wei-Shao

2017-02-01

This clinical report proposes a digital workflow using 2-dimensional (2D) digital photographs, a 3D extraoral facial scan, and cone beam computed tomography (CBCT) volumetric data to create a 3D virtual patient with craniofacial hard tissue, remaining dentition (including surrounding intraoral soft tissue), and the realistic appearance of facial soft tissue at an exaggerated smile under static conditions. The 3D virtual patient was used to assist the virtual diagnostic tooth arrangement process, providing patient with a pleasing preoperative virtual smile design that harmonized with facial features. The 3D virtual patient was also used to gain patient's pretreatment approval (as a communication tool), design a prosthetically driven surgical plan for computer-guided implant surgery, and fabricate the computer-aided design and computer-aided manufacturing (CAD-CAM) interim prostheses. Copyright © 2016 Editorial Council for the Journal of Prosthetic Dentistry. Published by Elsevier Inc. All rights reserved.

Sintering-resistant Single-Site Nickel Catalyst Supported by Metal-Organic Framework

DOE Office of Scientific and Technical Information (OSTI.GOV)

Li, Zhanyong; Schweitzer, Neil; League, Aaron

2016-02-17

Developing supported single-site catalysts is an important goal in heterogeneous catalysis, since the well-defined active sites afford opportunities for detailed mechanistic studies, thereby facilitating the design of improved catalysts. We present herein a method for installing Ni ions uniformly and precisely on the node of a Zr-based MOF, NU-1000, in high density and large quantity (denoted as Ni-AIM) using atomic layer deposition (ALD) in a metal–organic framework (MOF) (AIM). Ni-AIM is demonstrated to be an efficient gas-phase hydrogenation catalyst upon activation. The structure of the active sites in Ni-AIM is proposed, revealing its single-site nature. More importantly, due to themore » organic linker used to construct the MOF support, the Ni ions stay isolated throughout the hydrogenation catalysis, in accord with its long-term stability. A quantum chemical characterization of the catalyst and the catalytic process complements the experimental results. With validation of computational modeling protocols, we further targeted ethylene oligomerization catalysis by Ni-AIM guided by theoretical prediction. Given the generality of the AIM methodology, this emerging class of materials should prove ripe for the discovery of new catalysts for the transformation of volatile substrates.« less

The Impact of Numerical Control Technology and Computer Aided Manufacturing on Curriculum Development in Industrial Education and Technology. A Final Report.

ERIC Educational Resources Information Center

Bauch, Klaus Dieter

The study was designed to investigate the effects of Numerical Control Technology and Computer-Aided Manufacturing (NC/CAM) in American industry on industrial education and engineering technology education. The specific purpose was to identify a data base and rationale for curriculum development in NC/CAM through a comparison of views by…

Report on a Highly Used Computer Aid for the Professor in his Grade and Record Keeping Tasks.

ERIC Educational Resources Information Center

Brockmeier, Richard

SPARS is a computer data base management system designed to aid the college professor in handling his students' grades and other classroom data. It can handle multiple sections and labs, and allows the professor to combine and separate these components in a variety of ways. SPARS seeks to meet the sometimes competing goals of simplicity of use and…

Policy Analysis Implications of a Model to Improve the Delivery of Financial Aid to Disadvantaged Students. AIR 1983 Annual Forum Paper.

ERIC Educational Resources Information Center

Fenske, Robert H.; Porter, John D.

The role of institutional research in policy analysis regarding the operation of a computer model for delivery of financial aid to disadvantaged students is considered. A student financial aid model at Arizona State University is designed to develop a profile of late appliers for aid funds and also those who file inaccurate or incomplete…

Computer-Aided Diagnosis of Breast Cancer: A Multi-Center Demonstrator

DTIC Science & Technology

1998-10-01

Artificial Neural Network (ANN) approach to computer aided diagnosis of breast cancer from mammographic findings. An ANN has been developed to provide support for the clinical decision to perform breast biopsy. The system is designed to aid in the decision to biopsy those patients who have suspicious mammographic findings. The decision to biopsy can be viewed as a two stage process: 1)the mammographer views the mammogram and determines the presence or absence of image features such as calcifications and masses, 2) the presence and description of these features

Synthesis and characterization of mesoporous hydrocracking catalysts

NASA Astrophysics Data System (ADS)

Munir, D.; Usman, M. R.

2016-08-01

Mesoporous catalysts have shown great prospective for catalytic reactions due to their high surface area that aids better distribution of impregnated metal. They have been found to contain more adsorption sites and controlled pore diameter. Hydrocracking, in the presence of mesoporous catalyst is considered more efficient and higher conversion of larger molecules is observed as compared to the cracking reactions in smaller microporous cavities of traditional zeolites. In the present study, a number of silica-alumina based mesoporous catalysts are synthesized in the laboratory. The concentration and type of surfactants and quantities of silica and alumina sources are the variables studied in the preparation of catalyst supports. The supports prepared are well characterized using SEM, EDX, and N2-BET techniques. Finally, the catalysts are tested in a high pressure autoclave reactor to study the activity and selectivity of the catalysts for the hydrocracking of a model mixture of plastics comprising of LDPE, HDPE, PP, and PS.

Hydrazine Catalyst Production: Sustaining S-405 Technology

NASA Technical Reports Server (NTRS)

Wucherer, E. J.; Cook, Timothy; Stiefel, Mark; Humphries, Randy, Jr.; Parker, Janet

2003-01-01

The development of the iridium-based Shell 405 catalyst for spontaneous decomposition of hydrazine was one of the key enabling technologies for today's spacecraft and launch vehicles. To ensure that this crucial technology was not lost when Shell elected to exit the business, Aerojet, supported by NASA, has developed a dedicated catalyst production facility that will supply catalyst for future spacecraft and launch vehicle requirements. We have undertaken a program to transfer catalyst production from Shell Chemical USA (Houston, TX) to Aerojet's Redmond, WA location. This technology transition was aided by Aerojet's 30 years of catalyst manufacturing experience and NASA diligence and support in sustaining essential technologies. The facility has produced and tested S-405 catalyst to existing Shell 405 specifications and standards. Our presentation will describe the technology transition effort including development of the manufacturing facility, capture of the manufacturing process, test equipment validation, initial batch build and final testing.

Effect of Premolar Axial Wall Height on Computer-Aided Design/Computer-Assisted Manufacture Crown Retention.

PubMed

Martin, Curt; Harris, Ashley; DuVall, Nicholas; Wajdowicz, Michael; Roberts, Howard Wayne

2018-03-28

To evaluate the effect of premolar axial wall height on the retention of adhesive, full-coverage, computer-aided design/computer-assisted manufacture (CAD/CAM) restorations. A total of 48 premolar teeth randomized into four groups (n = 12 per group) received all-ceramic CAD/CAM restorations with axial wall heights (AWH) of 3, 2, 1, and 0 mm and 16-degree total occlusal convergence (TOC). Specimens were restored with lithium disilicate material and cemented with self-adhesive resin cement. Specimens were loaded to failure after 24 hours. The 3- and 2-mm AWH specimens demonstrated significantly greater failure load. Failure analysis suggests a 2-mm minimum AWH for premolars with a TOC of 16 degrees. Adhesive technology may compensate for compromised AWH.

Computer aided design of monolithic microwave and millimeter wave integrated circuits and subsystems

NASA Astrophysics Data System (ADS)

Ku, Walter H.

1987-08-01

This interim technical report presents results of research on the computer aided design of monolithic microwave and millimeter wave integrated circuits and subsystems. A specific objective is to extend the state-of-the-art of the Computer Aided Design (CAD) of the monolithic microwave and millimeter wave integrated circuits (MIMIC). In this reporting period, we have derived a new model for the high electron mobility transistor (HEMT) based on a nonlinear charge control formulation which takes into consideration the variation of the 2DEG distance offset from the heterointerface as a function of bias. Pseudomorphic InGaAs/GaAs HEMT devices have been successfully fabricated at UCSD. For a 1 micron gate length, a maximum transconductance of 320 mS/mm was obtained. In cooperation with TRW, devices with 0.15 micron and 0.25 micron gate lengths have been successfully fabricated and tested. New results on the design of ultra-wideband distributed amplifiers using 0.15 micron pseudomorphic InGaAs/GaAs HEMT's have also been obtained. In addition, two-dimensional models of the submicron MESFET's, HEMT's and HBT's are currently being developed for the CRAY X-MP/48 supercomputer. Preliminary results obtained are also presented in this report.

Combined Stereophotogrammetry and Laser-Sintered, Computer-Aided Milling Framework for an Implant-Supported Mandibular Prosthesis: A Case History Report.

PubMed

Suarez, Maria J; Paisal, Iria; Rodriguez-Alonso, Veronica; Lopez-Suarez, Carlos

This study compared the marginal gaps of computer-aided design/computer-aided manufacture (CAD/CAM)-fabricated all-ceramic crowns constructed from scanned impressions and models and with two different occlusal reduction designs. Two typodont mandibular first molars were prepared to receive CAD/CAM-fabricated all-ceramic crowns. Both molars were prepared to ideal crown reduction, the first with anatomical occlusal reduction (AOR) and the second with completely flat occlusal reduction (FOR). Nine polyvinyl siloxane impressions (PVS) were taken, and nine stone replicas fabricated for each preparation. All impressions and stone models were scanned using a laser scanner (Planmeca Planscan, E4D technologies), and 36 lithium disilicate (IPS e.max CAD) crowns were milled. The marginal gap was measured in four locations using a light stereomicroscope. Crowns constructed from preparations with both occlusal reduction designs demonstrated similar marginal gaps (FOR = 97.98; AOR = 89.12; P = .739). However, all crowns constructed from scanned impressions presented significantly larger marginal gaps than the crowns fabricated from scanned models (impressions = 109.26; models = 77.84; P = .002). Scanning stone models produced all-ceramic crowns with significantly smaller marginal gaps than scanning impressions, irrespective of the occlusal reduction design.

Career Profiles- Aero-Mechanical Design- Operations Engineering Branch

NASA Image and Video Library

2015-10-26

NASA Armstrong’s Aeromechanical Design Group provides mechanical design solutions ranging from research and development to ground support equipment. With an aerospace or mechanical engineering background, team members use the latest computer-aided design software to create one-of-kind parts, assemblies, and drawings, and aid in the design’s fabrication and integration. Reverse engineering and inspection of Armstrong’s fleet of aircraft is made possible by using state-of-the-art coordinate measuring machines and laser scanning equipment.

For Drafting Programs--Computer Graphics in Industrial Tech.

ERIC Educational Resources Information Center

Sutliff, Ron

1980-01-01

Posits that computer-aided drafting and design should be introduced to students in industrial technology programs. Discusses ways the technical educator can get involved in computer graphics to familiarize students with it without a large outlay of money. (JOW)

Computer-aided analysis and design of the shape rolling process for producing turbine engine airfoils

NASA Technical Reports Server (NTRS)

Lahoti, G. D.; Akgerman, N.; Altan, T.

1978-01-01

Mild steel (AISI 1018) was selected as model cold-rolling material and Ti-6Al-4V and INCONEL 718 were selected as typical hot-rolling and cold-rolling alloys, respectively. The flow stress and workability of these alloys were characterized and friction factor at the roll/workpiece interface was determined at their respective working conditions by conducting ring tests. Computer-aided mathematical models for predicting metal flow and stresses, and for simulating the shape-rolling process were developed. These models utilize the upper-bound and the slab methods of analysis, and are capable of predicting the lateral spread, roll-separating force, roll torque and local stresses, strains and strain rates. This computer-aided design (CAD) system is also capable of simulating the actual rolling process and thereby designing roll-pass schedule in rolling of an airfoil or similar shape. The predictions from the CAD system were verified with respect to cold rolling of mild steel plates. The system is being applied to cold and hot isothermal rolling of an airfoil shape, and will be verified with respect to laboratory experiments under controlled conditions.

[Computer aided design and rapid manufacturing of removable partial denture frameworks].

PubMed

Han, Jing; Lü, Pei-jun; Wang, Yong

2010-08-01

To introduce a method of digital modeling and fabricating removable partial denture (RPD) frameworks using self-developed software for RPD design and rapid manufacturing system. The three-dimensional data of two partially dentate dental casts were obtained using a three-dimensional crossing section scanner. Self-developed software package for RPD design was used to decide the path of insertion and to design different components of RPD frameworks. The components included occlusal rest, clasp, lingual bar, polymeric retention framework and maxillary major connector. The design procedure for the components was as following: first, determine the outline of the component. Second, build the tissue surface of the component using the scanned data within the outline. Third, preset cross section was used to produce the polished surface. Finally, different RPD components were modeled respectively and connected by minor connectors to form an integrated RPD framework. The finished data were imported into a self-developed selective laser melting (SLM) machine and metal frameworks were fabricated directly. RPD frameworks for the two scanned dental casts were modeled with this self-developed program and metal RPD frameworks were successfully fabricated using SLM method. The finished metal frameworks fit well on the plaster models. The self-developed computer aided design and computer aided manufacture (CAD-CAM) system for RPD design and fabrication has completely independent intellectual property rights. It provides a new method of manufacturing metal RPD frameworks.

Features of Computer-Based Decision Aids: Systematic Review, Thematic Synthesis, and Meta-Analyses

PubMed Central

Krömker, Dörthe; Meguerditchian, Ari N; Tamblyn, Robyn

2016-01-01

Background Patient information and education, such as decision aids, are gradually moving toward online, computer-based environments. Considerable research has been conducted to guide content and presentation of decision aids. However, given the relatively new shift to computer-based support, little attention has been given to how multimedia and interactivity can improve upon paper-based decision aids. Objective The first objective of this review was to summarize published literature into a proposed classification of features that have been integrated into computer-based decision aids. Building on this classification, the second objective was to assess whether integration of specific features was associated with higher-quality decision making. Methods Relevant studies were located by searching MEDLINE, Embase, CINAHL, and CENTRAL databases. The review identified studies that evaluated computer-based decision aids for adults faced with preference-sensitive medical decisions and reported quality of decision-making outcomes. A thematic synthesis was conducted to develop the classification of features. Subsequently, meta-analyses were conducted based on standardized mean differences (SMD) from randomized controlled trials (RCTs) that reported knowledge or decisional conflict. Further subgroup analyses compared pooled SMDs for decision aids that incorporated a specific feature to other computer-based decision aids that did not incorporate the feature, to assess whether specific features improved quality of decision making. Results Of 3541 unique publications, 58 studies met the target criteria and were included in the thematic synthesis. The synthesis identified six features: content control, tailoring, patient narratives, explicit values clarification, feedback, and social support. A subset of 26 RCTs from the thematic synthesis was used to conduct the meta-analyses. As expected, computer-based decision aids performed better than usual care or alternative aids; however, some features performed better than others. Integration of content control improved quality of decision making (SMD 0.59 vs 0.23 for knowledge; SMD 0.39 vs 0.29 for decisional conflict). In contrast, tailoring reduced quality of decision making (SMD 0.40 vs 0.71 for knowledge; SMD 0.25 vs 0.52 for decisional conflict). Similarly, patient narratives also reduced quality of decision making (SMD 0.43 vs 0.65 for knowledge; SMD 0.17 vs 0.46 for decisional conflict). Results were varied for different types of explicit values clarification, feedback, and social support. Conclusions Integration of media rich or interactive features into computer-based decision aids can improve quality of preference-sensitive decision making. However, this is an emerging field with limited evidence to guide use. The systematic review and thematic synthesis identified features that have been integrated into available computer-based decision aids, in an effort to facilitate reporting of these features and to promote integration of such features into decision aids. The meta-analyses and associated subgroup analyses provide preliminary evidence to support integration of specific features into future decision aids. Further research can focus on clarifying independent contributions of specific features through experimental designs and refining the designs of features to improve effectiveness. PMID:26813512

NASA Tech Briefs, March 1996. Volume 20, No. 3

NASA Technical Reports Server (NTRS)

1996-01-01

Topics: Computer-Aided Design and Engineering; Electronic Components and Cicuits; Electronic Systems; Physical Sciences; Materials; Computer Programs; Mechanics; Machinery/Automation; Manufacturing/Fabrication; Mathematics and Information; Books and Reports.

NASA Tech Briefs, September 1999. Volume 23, No. 9

NASA Technical Reports Server (NTRS)

1999-01-01

Topics discussed include: Computer-Aided Design and Engineering; Electronic Components and Circuits; Electronic Systems; Physical Sciences; Materials; Computer Programs; Mechanics; Machinery/Automation; Manufacturing/Fabrication; Mathematics and Information Sciences;

NASA Tech Briefs, March 1993. Volume 17, No. 3

NASA Technical Reports Server (NTRS)

1993-01-01

Topics include: Computer-Aided Design and Engineering; Electronic Components and Circuits; Electronic Systems; Physical Sciences; Materials; Computer Programs; Mechanics; Machinery; Fabrication Technology; Mathematics and Information Sciences; Life Sciences;

Advanced Computational Techniques for Power Tube Design.

DTIC Science & Technology

1986-07-01

fixturing applications, in addition to the existing computer-aided engineering capabilities. o Helix TWT Manufacturing has Implemented a tooling and fixturing...illustrates the ajor features of this computer network. ) The backbone of our system is a Sytek Broadband Network (LAN) which Interconnects terminals and...automatic network analyzer (FANA) which electrically characterizes the slow-wave helices of traveling-wave tubes ( TWTs ) -- both for engineering design

Novel Treatment Planning of Hemimandibular Hyperplasia by the Use of Three-Dimensional Computer-Aided-Design and Computer-Aided-Manufacturing Technologies.

PubMed

Hatamleh, Muhanad M; Yeung, Elizabeth; Osher, Jonas; Huppa, Chrisopher

2017-05-01

Hemimandibular hyperplasia is characterized by an obvious overgrowth in the size of the mandible on one side, which can extend up to the midline causing facial asymmetry. Surgical resection of the overgrowth depends heavily on the skill and experience of the surgeon. This report describes a novel methodology of applying three-dimensional computer-aided-design and computer-aided-manufacturing principles in improving the outcome of surgery in 2 mandibular hyperplasia patients. Both patients had their cone beam computer tomography (CBCT) scan performed. CMF Pro Plan software (v. 2.1) was used to process the scan data into virtual 3-dimensional models of the maxilla and mandible. Head tilt was adjusted manually by following horizontal reference. Facial asymmetry secondary to mandibular hypertrophy was obvious on frontal and lateral views. Simulation functions were followed including mirror imaging of the unaffected mandibular side into the hyperplastic side and position was optimized by translation and orientation functions. Reconstruction of virtual symmetry was assessed and checked by running 3-dimensional measurements. Then, subtraction functions were used to create a 3-dimensional template defining the outline of the lower mandibular osteotomy needed. Precision of mandibular teeth was enhanced by amalgamating the CBCT scan with e-cast scan of the patient lower teeth. 3-Matic software (v. 10.0) was used in designing cutting guide(s) that define the amount of overgrowth to be resected. The top section of the guide was resting on the teeth hence ensuring stability and accuracy while positioning it. The guide design was exported as an .stl file and printed using in-house 3-dimensional printer in biocompatible resin. Three-dimensional technologies of both softwares (CMF Pro Plan and 3-Matic) are accurate and reliable methods in the diagnosis, treatment planning, and designing of cutting guides that optimize surgical correction of hemimandibular hyperplasia at timely and cost-effect manner.

Computer-Aided Authoring of Programmed Instruction for Teaching Symbol Recognition. Final Report.

ERIC Educational Resources Information Center

Braby, Richard; And Others

This description of AUTHOR, a computer program for the automated authoring of programmed texts designed to teach symbol recognition, includes discussions of the learning strategies incorporated in the design of the instructional materials, hardware description and the algorithm for the software, and current and future developments. Appendices…

Expert System for Automated Design Synthesis

NASA Technical Reports Server (NTRS)

Rogers, James L., Jr.; Barthelemy, Jean-Francois M.

1987-01-01

Expert-system computer program EXADS developed to aid users of Automated Design Synthesis (ADS) general-purpose optimization program. EXADS aids engineer in determining best combination based on knowledge of specific problem and expert knowledge stored in knowledge base. Available in two interactive machine versions. IBM PC version (LAR-13687) written in IQ-LISP. DEC VAX version (LAR-13688) written in Franz-LISP.

Use of interactive graphics in bridge analysis and design.

DOT National Transportation Integrated Search

1983-01-01

This study evaluated the role of computer-aided design (CAD), including interactive graphics, in engineering design applications, especially in the design activities of the Virginia Department of Highways and Transportation. A review of the hardware ...

Computational Geometry and Computer-Aided Design

NASA Technical Reports Server (NTRS)

Fay, T. H. (Compiler); Shoosmith, J. N. (Compiler)

1985-01-01

Extended abstracts of papers addressing the analysis, representation, and synthesis of shape information are presented. Curves and shape control, grid generation and contouring, solid modelling, surfaces, and curve intersection are specifically addressed.

NASA Tech Briefs, November 1999. Volume 23, No. 11

NASA Technical Reports Server (NTRS)

1999-01-01

Topics covered include: Computer-Aided Design and Engineering; Electronic Components and Circuits; Electronic Systems; Materials; Computer Programs; Mechanics; Machinery/Automation; Physical Sciences; Mathematics and Information Sciences; Books and Reports.

Computer-aided design and computer-aided manufacturing cutting guides and customized titanium plates are useful in upper maxilla waferless repositioning.

PubMed

Mazzoni, Simona; Bianchi, Alberto; Schiariti, Giulio; Badiali, Giovanni; Marchetti, Claudio

2015-04-01

The purpose of the present study was to develop a computer-aided design (CAD) and computer-aided manufacturing (CAM) technique that enabled fabrication of surgical cutting guides and titanium fixation plates that would allow the upper maxilla to be repositioned correctly without a surgical splint in orthognathic patients. Ten patients were recruited. A complete CAD-CAM workflow for orthognathic surgery has 3 steps: 1) virtual planning of the surgical treatment, 2) CAD-CAM and 3-dimensional printing of customized surgical devices (surgical cutting guide and titanium fixation plates), and 3) computer-aided surgery. Upper maxilla repositioning was performed in a waferless manner using a CAD-CAM device: the surgical cutting guide was used during surgery to pilot the osteotomy line that had been planned preoperatively at the computer and the custom-made fixation titanium plates allowed desired repositioning of the maxilla. To evaluate the reproducibility of this CAD-CAM orthognathic surgical method, the virtually planned and actually achieved positions of the upper maxilla were compared. Overlap errors using a threshold value smaller than 2 mm were evaluated, and the frequency of such errors was used as a measurement of accuracy. By this definition, the accuracy was 100% in 7 patients (range in all patients, 62 to 100%; median, 92.7%). These results tend to confirm that the use of CAD-CAM cutting guides and customized titanium plates for upper maxilla repositioning represents a promising method for the accurate reproduction of preoperative virtual planning without the use of surgical splints. Copyright © 2015 American Association of Oral and Maxillofacial Surgeons. Published by Elsevier Inc. All rights reserved.

[Veneer computer aided design based on reverse engineering technology].

PubMed

Liu, Ming-li; Chen, Xiao-dong; Wang, Yong

2012-03-01

To explore the computer aided design (CAD) method of veneer restoration, and to assess if the solution can help prosthesis meet morphology esthetics standard. A volunteer's upper right central incisor needed to be restored with veneer. Super hard stone models of patient's dentition (before and after tooth preparation) were scanned with the three-dimensional laser scanner. The veneer margin was designed as butt-to-butt type. The veneer was constructed using reverse engineering (RE) software. The technique guideline of veneers CAD was explore based on RE software, and the veneers was smooth, continuous and symmetrical, which met esthetics construction needs. It was a feasible method to reconstruct veneer restoration based on RE technology.

Determination of optimal parameters for dual-layer cathode of polymer electrolyte fuel cell using computational intelligence-aided design.

PubMed

Chen, Yi; Huang, Weina; Peng, Bei

2014-01-01

Because of the demands for sustainable and renewable energy, fuel cells have become increasingly popular, particularly the polymer electrolyte fuel cell (PEFC). Among the various components, the cathode plays a key role in the operation of a PEFC. In this study, a quantitative dual-layer cathode model was proposed for determining the optimal parameters that minimize the over-potential difference η and improve the efficiency using a newly developed bat swarm algorithm with a variable population embedded in the computational intelligence-aided design. The simulation results were in agreement with previously reported results, suggesting that the proposed technique has potential applications for automating and optimizing the design of PEFCs.

U.S. aerospace industry opinion of the effect of computer-aided prediction-design technology on future wind-tunnel test requirements for aircraft development programs

NASA Technical Reports Server (NTRS)

Treon, S. L.

1979-01-01

A survey of the U.S. aerospace industry in late 1977 suggests that there will be an increasing use of computer-aided prediction-design technology (CPD Tech) in the aircraft development process but that, overall, only a modest reduction in wind-tunnel test requirements from the current level is expected in the period through 1995. Opinions were received from key spokesmen in 23 of the 26 solicited major companies or corporate divisions involved in the design and manufacture of nonrotary wing aircraft. Development programs for nine types of aircraft related to test phases and wind-tunnel size and speed range were considered.

The Interactive Electronic Technical Manual: Requirements, Current Status, and Implementation. Strategy Considerations.

DTIC Science & Technology

1991-07-01

authoring systems. Concurrently, great strides in computer-aided design and computer-aided maintenance have contributed to this capability. 12 Junod ...J.; William A. Nugent; and L. John Junod . Plan for the Navy/Air Force Test of the Interactive Electronic Technical Manual (IETM) at Cecil Field...AFHRL Logistics and Human Factors Division, WPAFB. Aug 1990. 12. Junod , John L. PY90 Interactive Electronic Technical Manual (IETM) Portable Delivery

Virtual Surgical Planning in Craniofacial Surgery

PubMed Central

Chim, Harvey; Wetjen, Nicholas; Mardini, Samir

2014-01-01

The complex three-dimensional anatomy of the craniofacial skeleton creates a formidable challenge for surgical reconstruction. Advances in computer-aided design and computer-aided manufacturing technology have created increasing applications for virtual surgical planning in craniofacial surgery, such as preoperative planning, fabrication of cutting guides, and stereolithographic models and fabrication of custom implants. In this review, the authors describe current and evolving uses of virtual surgical planning in craniofacial surgery. PMID:25210509

Chairside Computer-Aided Design/Computer-Aided Manufacture All-Ceramic Crown and Endocrown Restorations: A 7-Year Survival Rate Study.

PubMed

Fages, Michel; Raynal, Jacques; Tramini, Paul; Cuisinier, Frédéric Jg; Durand, Jean-Cédric

The objective of the present study was to analyze the clinical outcomes of 447 monoblock ceramic chairside computer-aided design/computer-aided manufacture (CAD/CAM) reconstructions over a 7-year functional period. Of these reconstructions, 212 were peripheral crowns and 235 were endocrowns. The restorations were placed between 2003 and 2008 in a total of 323 patients. They were created using a chairside CAD/CAM method and the same materials in all cases. All of the crowns were manufactured and glued during the same clinical session by the same practitioner. Data were descriptively analyzed and survival probabilities were calculated using Kaplan-Meier statistics. Of the 447 restorations, only 6 failures occurred, resulting in a success rate of 98.66%. All of the failures were the result of a partial ceramic fracture. Of the six ceramic fractures, five appeared on peripheral crowns and one on an endocrown. All fractures appeared in the first 24 months, including two in the first month. Log-rank test comparing incidence rates between crowns and endocrowns showed no significant differences (P = .08). This survival rate study reinforced the use of CAD/CAM full ceramic crowns and endocrowns on molars, showing a much more favorable survival rate for endocrowns.

[Comparative evaluation of the marginal accuracy of single crowns fabricated computer using aided design/computer aided manufacturing methods, self-curing resin and Luxatemp].

PubMed

Jianming, Yuan; Ying, Tang; Feng, Pan; Weixing, Xu

2016-12-01

This study aims to compare the marginal accuracy of single crowns fabricated using self-curing resin, Luxatemp, and computer aided design/computer aided manufacturing (CAD/CAM) methods in clinical application. A total of 30 working dies, which were obtained from 30 clinical teeth prepared with full crown as standard, were created and made into 30 self-curing resin, Luxatemp, and CAD/CAM single crowns. The restorations were seated on the working dies, and stereomicroscope was used to observe and measure the thickness of reference points. One-way analysis of variance, which was performed using SPSS 19.0 software package, compared the marginal gap widths of self-curing resin, Luxatemp, and CAD/CAM provisional crowns. The mean marginal gap widths of the fabricated self-curing resin, Luxatemp, and CAD/CAM were (179.06±33.24), (88.83±9.56), and (43.61±7.27) μm, respectively. A significant difference was observed among the three provisional crowns (P<0.05). The marginal gap width of CAD/CAM provisional crown was lower than that of the self-curing resin and Luxatemp. Thus, the CAD/CAM provisional crown offers a better remediation effect in clinical application.

Eighteen-Month Outcomes of Titanium Frameworks Using Computer-Aided Design and Computer-Aided Manufacturing Method.

PubMed

Turkyilmaz, Ilser; Asar, Neset Volkan

2017-06-01

The aim of the report is to introduce a new software and a new scanner with a noncontact laser probe and to present outcomes of computer-aided design and computer-aided manufacturing titanium frameworks using this new software and scanner with a laser probe. Seven patients received 40 implants placed using a 1-stage protocol. After all implants were planned using an implant planning software (NobelClinician), either 5 or 6 implants were placed in each edentulous arch. Each edentulous arch was treated with a fixed dental prosthesis using implant-supported complete-arch milled-titanium framework using the software (NobelProcera) and the scanner. All patients were followed up for 18 ± 3 months. Implant survival, prosthesis survival, framework fit, marginal bone levels, and maintenance requirements were evaluated. One implant was lost during the follow-up period, giving the implant survival rate of 97.5%; 0.4 ± 0.2 mm marginal bone loss was noted for all implants after 18 ± 3 months. None of the prostheses needed a replacement, indicating the prosthesis success rate of 100%. The results of this clinical study suggest that titanium frameworks fabricated using the software and scanner presented in this study fit accurately and may be a viable option to restore edentulous arches.

Computer-aided drug discovery research at a global contract research organization

NASA Astrophysics Data System (ADS)

Kitchen, Douglas B.

2017-03-01

Computer-aided drug discovery started at Albany Molecular Research, Inc in 1997. Over nearly 20 years the role of cheminformatics and computational chemistry has grown throughout the pharmaceutical industry and at AMRI. This paper will describe the infrastructure and roles of CADD throughout drug discovery and some of the lessons learned regarding the success of several methods. Various contributions provided by computational chemistry and cheminformatics in chemical library design, hit triage, hit-to-lead and lead optimization are discussed. Some frequently used computational chemistry techniques are described. The ways in which they may contribute to discovery projects are presented based on a few examples from recent publications.

Computer-aided drug discovery research at a global contract research organization.

PubMed

Kitchen, Douglas B

2017-03-01

Computer-aided drug discovery started at Albany Molecular Research, Inc in 1997. Over nearly 20 years the role of cheminformatics and computational chemistry has grown throughout the pharmaceutical industry and at AMRI. This paper will describe the infrastructure and roles of CADD throughout drug discovery and some of the lessons learned regarding the success of several methods. Various contributions provided by computational chemistry and cheminformatics in chemical library design, hit triage, hit-to-lead and lead optimization are discussed. Some frequently used computational chemistry techniques are described. The ways in which they may contribute to discovery projects are presented based on a few examples from recent publications.

Computer-Assisted Virtual Planning for Surgical Guide Manufacturing and Internal Distractor Adaptation in the Management of Midface Hypoplasia in Cleft Patients.

PubMed

Scolozzi, Paolo; Herzog, Georges

2017-07-01

We are reporting the treatment of severe maxillary hypoplasia in two patients with unilateral cleft lip and palate by using a specific approach combining the Le Fort I distraction osteogenesis technique coupled with computer-aided design/computer-aided manufacturing customized surgical guides and internal distractors based on virtual computational planning. This technology allows for the transfer of the virtual planned reconstruction to the operating room by using custom patient-specific implants, surgical splints, surgical cutting guides, and surgical guides to plate or distractor adaptation.

Using computer-aided drug design and medicinal chemistry strategies in the fight against diabetes.

PubMed

Semighini, Evandro P; Resende, Jonathan A; de Andrade, Peterson; Morais, Pedro A B; Carvalho, Ivone; Taft, Carlton A; Silva, Carlos H T P

2011-04-01

The aim of this work is to present a simple, practical and efficient protocol for drug design, in particular Diabetes, which includes selection of the illness, good choice of a target as well as a bioactive ligand and then usage of various computer aided drug design and medicinal chemistry tools to design novel potential drug candidates in different diseases. We have selected the validated target dipeptidyl peptidase IV (DPP-IV), whose inhibition contributes to reduce glucose levels in type 2 diabetes patients. The most active inhibitor with complex X-ray structure reported was initially extracted from the BindingDB database. By using molecular modification strategies widely used in medicinal chemistry, besides current state-of-the-art tools in drug design (including flexible docking, virtual screening, molecular interaction fields, molecular dynamics, ADME and toxicity predictions), we have proposed 4 novel potential DPP-IV inhibitors with drug properties for Diabetes control, which have been supported and validated by all the computational tools used herewith.

Computer-Aided Structural Engineering (CASE) Project: State of the Art on Expert Systems Applications in Design, Construction and Maintenance of Structures

DTIC Science & Technology

1989-09-01

OGT, F1EPQRTJTL4, W" - 3^ n"r-- n *ON EXPERT SYSTEMS IN DESIGN, CONSTRUCTION AND’, IWAJNTENANCE-OF STRUCTURES Arockiasamy, Sunghoon Lee Clepartrhent...based expert system applications in the areas of structural design, design standards, and construction planning. This study will aid in the development...of a comprehensive expert system for tvical hydraulic structures. Funding for this report was provided by the US Army Engineer Waterways Experiment

NASA Tech Briefs, January 2000. Volume 24, No. 1

NASA Technical Reports Server (NTRS)

2000-01-01

Topics include: Data Acquisition; Computer-Aided Design and Engineering; Electronic Components and Circuits; Electronic Systems; Bio-Medical; Physical Sciences; Materials; Computer Programs; Mechanics; Machinery/Automation; Information Sciences; Books and reports.

ATOMIC-SCALE DESIGN OF IRON FISCHER-TROPSCH CATALYSTS: A COMBINED COMPUTATIONAL CHEMISTRY, EXPERIMENTAL, AND MICROKINETIC MODELING APPROACH

DOE Office of Scientific and Technical Information (OSTI.GOV)

Manos Mavrikakis; James A. Dumesic; Amit A. Gokhale

2005-03-22

Efforts during this first year focused on four areas: (1) searching/summarizing published FTS mechanistic and kinetic studies of FTS reactions on iron catalysts; (2) construction of mass spectrometer-TPD and Berty CSTR reactor systems; (3) preparation and characterization of unsupported iron and alumina-supported iron catalysts at various iron loadings (4) Determination of thermochemical parameters such as binding energies of reactive intermediates, heat of FTS elementary reaction steps, and kinetic parameters such as activation energies, and frequency factors of FTS elementary reaction steps on a number of model surfaces. Literature describing mechanistic and kinetic studies of Fischer-Tropsch synthesis on iron catalysts wasmore » compiled in a draft review. Construction of the mass spectrometer-TPD system is 90% complete and of a Berty CSTR reactor system 98% complete. Three unsupported iron catalysts and three alumina-supported iron catalysts were prepared by nonaqueous-evaporative deposition (NED) or aqueous impregnation (AI) and characterized by chemisorption, BET, extent-of-reduction, XRD, and TEM methods. These catalysts, covering a wide range of dispersions and metal loadings, are well-reduced and relatively thermally stable up to 500-600 C in H{sub 2}, thus ideal for kinetic and mechanistic studies. The alumina-supported iron catalysts will be used for kinetic and mechanistic studies. In the coming year, adsorption/desorption properties, rates of elementary steps, and global reaction rates will be measured for these catalysts, with and without promoters, providing a database for understanding effects of dispersion, metal loading, and support on elementary kinetic parameters and for validation of computational models that incorporate effects of surface structure and promoters. Furthermore, using state-of-the-art self-consistent Density Functional Theory (DFT) methods, we have extensively studied the thermochemistry and kinetics of various elementary steps on three different model surfaces: (1) Fe(110), (2) Fe(110) modified by subsurface C, and (3) Fe surface modified with Pt adatoms. These studies have yielded valuable insights into the reactivity of Fe surfaces for FTS, and provided accurate estimates for the effect of Fe modifiers such as subsurface C and surface Pt.« less

Toward Rational Design of Cu/SSZ-13 Selective Catalytic Reduction Catalysts: Implications from Atomic-Level Understanding of Hydrothermal Stability

DOE Office of Scientific and Technical Information (OSTI.GOV)

Song, James; Wang, Yilin; Walter, Eric D.

The hydrothermal stability of Cu/SSZ-13 SCR catalysts has been extensively studied, yet atomic level understanding of changes to the zeolite support and the Cu active sites during hydrothermal aging are still lacking. In this work, via the utilization of spectroscopic methods including solid-state 27Al and 29Si NMR, EPR, DRIFTS, and XPS, together with imaging and elemental mapping using STEM, detailed kinetic analyses, and theoretical calculations with DFT, various Cu species, including two types of isolated active sites and CuOx clusters, were precisely quantified for samples hydrothermally aged under varying conditions. This quantification convincingly confirms the exceptional hydrothermal stability of isolatedmore » Cu2+-2Z sites, and the gradual conversion of [Cu(OH)]+-Z to CuOx clusters with increasing aging severity. This stability difference is rationalized from the hydrolysis activation barrier difference between the two isolated sites via DFT. Discussions are provided on the nature of the CuOx clusters, and their possible detrimental roles on catalyst stability. Finally, a few rational design principles for Cu/SSZ-13 are derived rigorously from the atomic-level understanding of this catalyst obtained here. The authors gratefully acknowledge the US Department of Energy (DOE), Energy Efficiency and Renewable Energy, Vehicle Technologies Office for the support of this work. Computing time was granted by a user proposal at the William R. Wiley Environmental Molecular Sciences Laboratory (EMSL) and by the National Energy Research Scientific Computing Center (NERSC). The experimental studies described in this paper were performed in the EMSL, a national scientific user facility sponsored by the DOE’s Office of Biological and Environmental Research and located at Pacific Northwest National Laboratory (PNNL). PNNL is operated for the US DOE by Battelle.« less

The Role of the Computer in Education. Proceedings of the Annual Meeting (7th, Arlington Heights, Illinois, February 18-20, 1987).

ERIC Educational Resources Information Center

Micro-Ideas, Glenview, IL.

The 47 papers in these proceedings describe computer technology and its many applications to the educational process. Topics discussed include computer literacy, networking, word processing, automated instructional management, computer conferencing, career information services, computer-aided drawing/design, and robotics. Programming languages…

Dental students' preferences and performance in crown design: conventional wax-added versus CAD.

PubMed

Douglas, R Duane; Hopp, Christa D; Augustin, Marcus A

2014-12-01

The purpose of this study was to evaluate dental students' perceptions of traditional waxing vs. computer-aided crown design and to determine the effectiveness of either technique through comparative grading of the final products. On one of twoidentical tooth preparations, second-year students at one dental school fabricated a wax pattern for a full contour crown; on the second tooth preparation, the same students designed and fabricated an all-ceramic crown using computer-aided design (CAD) and computer-aided manufacturing (CAM) technology. Projects were graded for occlusion and anatomic form by three faculty members. On completion of the projects, 100 percent of the students (n=50) completed an eight-question, five-point Likert scalesurvey, designed to assess their perceptions of and learning associated with the two design techniques. The average grades for the crown design projects were 78.3 (CAD) and 79.1 (wax design). The mean numbers of occlusal contacts were 3.8 (CAD) and 2.9(wax design), which was significantly higher for CAD (p=0.02). The survey results indicated that students enjoyed designing afull contour crown using CAD as compared to using conventional wax techniques and spent less time designing the crown using CAD. From a learning perspective, students felt that they learned more about position and the size/strength of occlusal contacts using CAD. However, students recognized that CAD technology has limits in terms of representing anatomic contours and excursive occlusion compared to conventional wax techniques. The results suggest that crown design using CAD could be considered as an adjunct to conventional wax-added techniques in preclinical fixed prosthodontic curricula.

Do Computers Improve the Drawing of a Geometrical Figure for 10 Year-Old Children?

ERIC Educational Resources Information Center

Martin, Perrine; Velay, Jean-Luc

2012-01-01

Nowadays, computer aided design (CAD) is widely used by designers. Would children learn to draw more easily and more efficiently if they were taught with computerised tools? To answer this question, we made an experiment designed to compare two methods for children to do the same drawing: the classical "pen and paper" method and a CAD…

A Computer-Aided Approach for Designing Edge-Slot Waveguide Arrays

NASA Technical Reports Server (NTRS)

Gosselin, Renee Brian

2003-01-01

Traditional techniques for designing resonant edge-slot waveguide arrays have required an iterative trial-and-error process of measuring slot data from several prototypes. Since very little meaningful data has been published, this technology remains relatively immature and prohibitive for many smaller programs that could benefit from some advantages this antenna has to offer. A new Computer-Aided Design technique for designing resonant edge-slot waveguide arrays was used to successfuliy design such an X-band radiometer antenna for the NASA Light Rainfall Radiometer (LRR) instrument. Having the ability to rapidly create such an extremely accurate and efficient antenna design without the need to manufacture prototypes has also enabled inexpensive research that promises to improve the system-level performance of microwave radiometers for upcoming space-flight missions. This paper will present details of the LRR antenna design and describe some other current edge-slot array accomplishments at Goddard Space Flight Center.

CAD Services: an Industry Standard Interface for Mechanical CAD Interoperability

NASA Technical Reports Server (NTRS)

Claus, Russell; Weitzer, Ilan

2002-01-01

Most organizations seek to design and develop new products in increasingly shorter time periods. At the same time, increased performance demands require a team-based multidisciplinary design process that may span several organizations. One approach to meet these demands is to use 'Geometry Centric' design. In this approach, design engineers team their efforts through one united representation of the design that is usually captured in a CAD system. Standards-based interfaces are critical to provide uniform, simple, distributed services that enable the 'Geometry Centric' design approach. This paper describes an industry-wide effort, under the Object Management Group's (OMG) Manufacturing Domain Task Force, to define interfaces that enable the interoperability of CAD, Computer Aided Manufacturing (CAM), and Computer Aided Engineering (CAE) tools. This critical link to enable 'Geometry Centric' design is called: Cad Services V1.0. This paper discusses the features of this standard and proposed application.

Computer-Aided Drug Design Methods.

PubMed

Yu, Wenbo; MacKerell, Alexander D

2017-01-01

Computational approaches are useful tools to interpret and guide experiments to expedite the antibiotic drug design process. Structure-based drug design (SBDD) and ligand-based drug design (LBDD) are the two general types of computer-aided drug design (CADD) approaches in existence. SBDD methods analyze macromolecular target 3-dimensional structural information, typically of proteins or RNA, to identify key sites and interactions that are important for their respective biological functions. Such information can then be utilized to design antibiotic drugs that can compete with essential interactions involving the target and thus interrupt the biological pathways essential for survival of the microorganism(s). LBDD methods focus on known antibiotic ligands for a target to establish a relationship between their physiochemical properties and antibiotic activities, referred to as a structure-activity relationship (SAR), information that can be used for optimization of known drugs or guide the design of new drugs with improved activity. In this chapter, standard CADD protocols for both SBDD and LBDD will be presented with a special focus on methodologies and targets routinely studied in our laboratory for antibiotic drug discoveries.

NASA Tech Briefs, March 1994. Volume 18, No. 3

NASA Technical Reports Server (NTRS)

1994-01-01

Topics include: Computer-Aided Design and Engineering; Electronic Components and Circuits; Electronic Systems; Physical Sciences; Materials; Computer Programs; Mechanics; Machinery/Automation; Manufacturing/Fabrication; Mathematics and Information Sciences; Life Sciences; Books and Reports

NASA Tech Briefs, March 2000. Volume 24, No. 3

NASA Technical Reports Server (NTRS)

2000-01-01

Topics include: Computer-Aided Design and Engineering; Electronic Components and Circuits; Electronic Systems; Physical Sciences; Materials; Computer Programs; Mechanics; Machinery/Automation; Manufacturing/Fabrication; Mathematics and Information Sciences; Life Sciences; Books and Reports.

NASA Tech Briefs, March 1997. Volume 21, No. 3

NASA Technical Reports Server (NTRS)

1997-01-01

Topics: Computer-Aided Design and Engineering; Electronic Components and Circuits; Electronic Systems; Physical Sciences; Materials; Computer Programs; Mechanics; Machinery/Automation; Manufacturing/Fabrication; Mathematics and Information Sciences; Life Sciences; Books and Reports.

DESIGNING GREENER SOLVENTS

EPA Science Inventory

Computer-aided design of chemicals and chemical mixtures provides a powerful tool to help engineers identify cleaner process designs and more-benign alternatives to toxic industrial solvents. Three software programs are discussed: (1) PARIS II (Program for Assisting the Replaceme...

A dc model for power switching transistors suitable for computer-aided design and analysis

NASA Technical Reports Server (NTRS)

Wilson, P. M.; George, R. T., Jr.; Owen, H. A.; Wilson, T. G.

1979-01-01

A model for bipolar junction power switching transistors whose parameters can be readily obtained by the circuit design engineer, and which can be conveniently incorporated into standard computer-based circuit analysis programs is presented. This formulation results from measurements which may be made with standard laboratory equipment. Measurement procedures, as well as a comparison between actual and computed results, are presented.

Improved Computer-Aided Instruction by the Use of Interfaced Random-Access Audio-Visual Equipment. Report on Research Project No. P/24/1.

ERIC Educational Resources Information Center

Bryce, C. F. A.; Stewart, A. M.

A brief review of the characteristics of computer assisted instruction and the attributes of audiovisual media introduces this report on a project designed to improve the effectiveness of computer assisted learning through the incorporation of audiovisual materials. A discussion of the implications of research findings on the design and layout of…

Basic Research Plan.

DTIC Science & Technology

1996-05-01

detection, catalysts for enhancing and controlling energetic reactions, synthesis of new compounds (e.g., narrow band-gap materials and non-linear...design for synthesis of advanced materials Fabricate porous lightweight and resilient structural materials with novel properties and uses Demonstrate...elements for 10 nm computer memory elements Demonstrate enhanced propellants and explosives with nanoparticle surface chemistry Demonstrate sensing of

Use of Parallel Micro-Platform for the Simulation the Space Exploration

NASA Astrophysics Data System (ADS)

Velasco Herrera, Victor Manuel; Velasco Herrera, Graciela; Rosano, Felipe Lara; Rodriguez Lozano, Salvador; Lucero Roldan Serrato, Karen

The purpose of this work is to create a parallel micro-platform, that simulates the virtual movements of a space exploration in 3D. One of the innovations presented in this design consists of the application of a lever mechanism for the transmission of the movement. The development of such a robot is a challenging task very different of the industrial manipulators due to a totally different target system of requirements. This work presents the study and simulation, aided by computer, of the movement of this parallel manipulator. The development of this model has been developed using the platform of computer aided design Unigraphics, in which it was done the geometric modeled of each one of the components and end assembly (CAD), the generation of files for the computer aided manufacture (CAM) of each one of the pieces and the kinematics simulation of the system evaluating different driving schemes. We used the toolbox (MATLAB) of aerospace and create an adaptive control module to simulate the system.

Bilateral Malar Reconstruction Using Patient-Specific Polyether Ether Ketone Implants in Treacher-Collins Syndrome Patients With Absent Zygomas.

PubMed

Sainsbury, David C G; George, Alan; Forrest, Christopher R; Phillips, John H

2017-03-01

The authors performed bilateral malar reconstruction using polyether ether ketone implants in 3 patients with Treacher-Collins syndrome with absent, as opposed to hypoplastic, zygomata. These patient-specific implants were fabricated using computed-aided design software reformatted from three-dimensional bony preoperative computed tomography images. The first time the authors performed this procedure the implant compressed the globe resulting in temporary anisocoria that was quickly recognized intraoperatively. The implant was immediately removed and the patient made a full-recovery with no ocular disturbance. The computer-aided design and manufacturing process was adjusted to include periorbital soft-tissue boundaries to aid in contouring the new implants. The same patient, and 2 further patients, subsequently underwent malar reconstruction using this soft tissue periorbital boundary fabrication process with an additional 2 mm relief removed from the implant's orbital surface. These subsequent procedures were performed without complication and with pleasing aesthetic results. The authors describe their experience and the salutary lessons learnt.

Approximations for Quantitative Feedback Theory Designs

NASA Technical Reports Server (NTRS)

Henderson, D. K.; Hess, R. A.

1997-01-01

The computational requirements for obtaining the results summarized in the preceding section were very modest and were easily accomplished using computer-aided control system design software. Of special significance is the ability of the PDT to indicate a loop closure sequence for MIMO QFT designs that employ sequential loop closure. Although discussed as part of a 2 x 2 design, the PDT is obviously applicable to designs with a greater number of inputs and system responses.

The magic words: Using computers to uncover mental associations for use in magic trick design.

PubMed

Williams, Howard; McOwan, Peter W

2017-01-01

The use of computational systems to aid in the design of magic tricks has been previously explored. Here further steps are taken in this direction, introducing the use of computer technology as a natural language data sourcing and processing tool for magic trick design purposes. Crowd sourcing of psychological concepts is investigated; further, the role of human associative memory and its exploitation in magical effects is explored. A new trick is developed and evaluated: a physical card trick partially designed by a computational system configured to search for and explore conceptual spaces readily understood by spectators.

Enhancements to the Design Manager's Aide for Intelligent Decomposition (DeMAID)

NASA Technical Reports Server (NTRS)

Rogers, James L.; Barthelemy, Jean-Francois M.

1992-01-01

This paper discusses the addition of two new enhancements to the program Design Manager's Aide for Intelligent Decomposition (DeMAID). DeMAID is a knowledge-based tool used to aid a design manager in understanding the interactions among the tasks of a complex design problem. This is done by ordering the tasks to minimize feedback, determining the participating subsystems, and displaying them in an easily understood format. The two new enhancements include (1) rules for ordering a complex assembly process and (2) rules for determining which analysis tasks must be re-executed to compute the output of one task based on a change in input to that or another task.

Enhancements to the Design Manager's Aide for Intelligent Decomposition (DeMaid)

NASA Technical Reports Server (NTRS)

Rogers, James L.; Barthelemy, Jean-Francois M.

1992-01-01

This paper discusses the addition of two new enhancements to the program Design Manager's Aide for Intelligent Decomposition (DeMAID). DeMAID is a knowledge-based tool used to aid a design manager in understanding the interactions among the tasks of a complex design problem. This is done by ordering the tasks to minimize feedback, determining the participating subsystems, and displaying them in an easily understood format. The two new enhancements include (1) rules for ordering a complex assembly process and (2) rules for determining which analysis tasks must be re-executed to compute the output of one task based on a change in input to that or another task.

[Initial evolution research for design and process accuracy of one type of domestic computer aided design soft and computer aided manufacture].

PubMed

Song, Yang; Zhao, Yi-jiao; Sun, Yu-chun; Lü, Pei-jun; Wang, Yong

2013-09-01

To evaluate the design and manufacture accuracy of a domestic computer aided design (CAD) and computer aided manufacture (CAM) system, and to compare it with similar foreign products. Thirty models of posterior-teeth-single-crown preparations were collected, and STL data of these preparations was collected by Denmark 3Shape scanner. Three copings were made for each preparation, the one designed and manufactured using commercial CAD/CAM system (3Shape CAD software and Wieland T1 CAM equipment) was assigned into control group T0, the one designed and manufactured using domestic CAD software (developed by Peking University School and Hospital of Stomatology and Nanjing University of Aeronautics and Astronautics) and Wieland T1 CAM equipment was assigned into experimental group TCAD for design accuracy evaluation, and the one designed and manufactured using 3Shape CAD software and domestic CAM equipment (developed by Peking University School and Hospital of Stomatology, Tsinghua University and ShanDong XinHua Incorporated Company of medical apparatus and instruments) was assigned into experimental group TCAM for manufacture accuracy evaluation. Finally, the marginal fitness were compared and evaluated by using 3D & Profile measurement microscope laser. The marginal fitness of TCAD was 27.98 (19.10, 46.57) µm in buccal, 32.67 (20.65, 50.82) µm in lingual, 27.38 (22.53, 52.61) µm in mesial, 29.50 (22.68, 53.65) µm in distal; of TCAM was 21.69 (15.87, 30.21) µm in buccal, 18.51 (13.50, 22.51) µm in lingual, 19.15 (15.42, 26.89) µm in mesial, 22.77 (18.58, 32.15) µm in distal; and there were no statistical differences compared with T0 [20.16 (17.16, 48.00) µm in buccal, 21.51 (17.05, 28.31) µm in lingual, 23.54 (17.89, 30.04) µm in mesial and 23.94 (17.93, 28.19) µm in distal] except lingual data of TCAD. The design and machining precision of this domestic CAD/CAM system is at the same level of those comparable foreign products.

Computational Methods in Drug Discovery

PubMed Central

Sliwoski, Gregory; Kothiwale, Sandeepkumar; Meiler, Jens

2014-01-01

Computer-aided drug discovery/design methods have played a major role in the development of therapeutically important small molecules for over three decades. These methods are broadly classified as either structure-based or ligand-based methods. Structure-based methods are in principle analogous to high-throughput screening in that both target and ligand structure information is imperative. Structure-based approaches include ligand docking, pharmacophore, and ligand design methods. The article discusses theory behind the most important methods and recent successful applications. Ligand-based methods use only ligand information for predicting activity depending on its similarity/dissimilarity to previously known active ligands. We review widely used ligand-based methods such as ligand-based pharmacophores, molecular descriptors, and quantitative structure-activity relationships. In addition, important tools such as target/ligand data bases, homology modeling, ligand fingerprint methods, etc., necessary for successful implementation of various computer-aided drug discovery/design methods in a drug discovery campaign are discussed. Finally, computational methods for toxicity prediction and optimization for favorable physiologic properties are discussed with successful examples from literature. PMID:24381236

Data engineering systems: Computerized modeling and data bank capabilities for engineering analysis

NASA Technical Reports Server (NTRS)

Kopp, H.; Trettau, R.; Zolotar, B.

1984-01-01

The Data Engineering System (DES) is a computer-based system that organizes technical data and provides automated mechanisms for storage, retrieval, and engineering analysis. The DES combines the benefits of a structured data base system with automated links to large-scale analysis codes. While the DES provides the user with many of the capabilities of a computer-aided design (CAD) system, the systems are actually quite different in several respects. A typical CAD system emphasizes interactive graphics capabilities and organizes data in a manner that optimizes these graphics. On the other hand, the DES is a computer-aided engineering system intended for the engineer who must operationally understand an existing or planned design or who desires to carry out additional technical analysis based on a particular design. The DES emphasizes data retrieval in a form that not only provides the engineer access to search and display the data but also links the data automatically with the computer analysis codes.

Computer-aided roll pass design in rolling of airfoil shapes

NASA Technical Reports Server (NTRS)

Akgerman, N.; Lahoti, G. D.; Altan, T.

1980-01-01

This paper describes two computer-aided design (CAD) programs developed for modeling the shape rolling process for airfoil sections. The first program, SHPROL, uses a modular upper-bound method of analysis and predicts the lateral spread, elongation, and roll torque. The second program, ROLPAS, predicts the stresses, roll separating force, the roll torque and the details of metal flow by simulating the rolling process, using the slab method of analysis. ROLPAS is an interactive program; it offers graphic display capabilities and allows the user to interact with the computer via a keyboard, CRT, and a light pen. The accuracy of the computerized models was evaluated by (a) rolling a selected airfoil shape at room temperature from 1018 steel and isothermally at high temperature from Ti-6Al-4V, and (b) comparing the experimental results with computer predictions. The comparisons indicated that the CAD systems, described here, are useful for practical engineering purposes and can be utilized in roll pass design and analysis for airfoil and similar shapes.

DNA-binding specificity prediction with FoldX.

PubMed

Nadra, Alejandro D; Serrano, Luis; Alibés, Andreu

2011-01-01

With the advent of Synthetic Biology, a field between basic science and applied engineering, new computational tools are needed to help scientists reach their goal, their design, optimizing resources. In this chapter, we present a simple and powerful method to either know the DNA specificity of a wild-type protein or design new specificities by using the protein design algorithm FoldX. The only basic requirement is having a good resolution structure of the complex. Protein-DNA interaction design may aid the development of new parts designed to be orthogonal, decoupled, and precise in its target. Further, it could help to fine-tune the systems in terms of specificity, discrimination, and binding constants. In the age of newly developed devices and invented systems, computer-aided engineering promises to be an invaluable tool. Copyright © 2011 Elsevier Inc. All rights reserved.

Expanding Biosensing Abilities through Computer-Aided Design of Metabolic Pathways.

PubMed

Libis, Vincent; Delépine, Baudoin; Faulon, Jean-Loup

2016-10-21

Detection of chemical signals is critical for cells in nature as well as in synthetic biology, where they serve as inputs for designer circuits. Important progress has been made in the design of signal processing circuits triggering complex biological behaviors, but the range of small molecules recognized by sensors as inputs is limited. The ability to detect new molecules will increase the number of synthetic biology applications, but direct engineering of tailor-made sensors takes time. Here we describe a way to immediately expand the range of biologically detectable molecules by systematically designing metabolic pathways that transform nondetectable molecules into molecules for which sensors already exist. We leveraged computer-aided design to predict such sensing-enabling metabolic pathways, and we built several new whole-cell biosensors for molecules such as cocaine, parathion, hippuric acid, and nitroglycerin.

Selective hydrogenation of phenol to cyclohexanone over Pd@CN (N-doped porous carbon): Role of catalyst reduction method

NASA Astrophysics Data System (ADS)

Hu, Shuo; Yang, Guangxin; Jiang, Hong; Liu, Yefei; Chen, Rizhi

2018-03-01

Selective phenol hydrogenation is a green and sustainable technology to produce cyclohexanone. The work focused on investigating the role of catalyst reduction method in the liquid-phase phenol hydrogenation to cyclohexanone over Pd@CN (N-doped porous carbon). A series of reduction methods including flowing hydrogen reduction, in-situ reaction reduction and liquid-phase reduction were designed and performed. The results highlighted that the reduction method significantly affected the catalytic performance of Pd@CN in the liquid-phase hydrogenation of phenol to cyclohexanone, and the liquid-phase reduction with the addition of appropriate amount of phenol was highly efficient to improve the catalytic activity of Pd@CN. The influence mechanism was explored by a series of characterizations. The results of TEM, XPS and CO chemisorption confirmed that the reduction method mainly affected the size, surface composition and dispersion of Pd in the CN material. The addition of phenol during the liquid-phase reduction could inhibit the aggregation of Pd NPs and promote the reduction of Pd (2+), and then improved the catalytic activity of Pd@CN. The work would aid the development of high-performance Pd@CN catalysts for selective phenol hydrogenation.

Design and Implementation of an Experimental Cataloging Advisor--Mapper.

ERIC Educational Resources Information Center

Ercegovac, Zorana; Borko, Harold

1992-01-01

Describes the design of an experimental computer-aided cataloging advisor, Mapper, that was developed to help novice users with the descriptive cataloging of single-sheet maps from U.S. publishers. The human-computer interface is considered, the use of HyperCard is discussed, the knowledge base is explained, and assistance screens are described.…

Computer-Aided Training for Transport Planners: Experience with the Pluto Package.

ERIC Educational Resources Information Center

Bonsall, P. W.

1995-01-01

Describes the PLUTO model, an interactive computer program designed for use in education and training of city planners and engineers. Emphasizes four issues: (1) the balance between realism and simplification; (2) the design of the user interface; (3) comparative advantages of group and solo working; and (4) factors affecting the decision to…

Noise studies of communication systems using the SYSTID computer aided analysis program

NASA Technical Reports Server (NTRS)

Tranter, W. H.; Dawson, C. T.

1973-01-01

SYSTID computer aided design is a simple program for simulating data systems and communication links. A trial of the efficiency of the method was carried out by simulating a linear analog communication system to determine its noise performance and by comparing the SYSTID result with the result arrived at by theoretical calculation. It is shown that the SYSTID program is readily applicable to the analysis of these types of systems.

Investigation of Air Transportation Technology at Princeton University, 1989-1990

NASA Technical Reports Server (NTRS)

Stengel, Robert F.

1990-01-01

The Air Transportation Technology Program at Princeton University proceeded along six avenues during the past year: microburst hazards to aircraft; machine-intelligent, fault tolerant flight control; computer aided heuristics for piloted flight; stochastic robustness for flight control systems; neural networks for flight control; and computer aided control system design. These topics are briefly discussed, and an annotated bibliography of publications that appeared between January 1989 and June 1990 is given.

Pillared montmorillonite catalysts for coal liquefaction

DOE Office of Scientific and Technical Information (OSTI.GOV)

Sharma, R.K.; Olson, E.S.

1994-12-31

Pillared clays contain large micropores and have considerable potential for catalytic hydrogenation and cleavage of coal macromolecules. Pillared montmorillonite-supported catalysts were prepared by the intercalation of polynuclear hydroxychromium cations and subsequent impregnation of nickel and molybdenum. Infrared and thermogravimetric studies of pyridine-adsorbed catalysts indicated the presence of both Lewis and Bronsted acid sites. Thus, the catalysts have both acidic properties that can aid in hydrocracking and cleavage of carbon-heteroatom bonds as well as hydrogen-activating bimetallic sites. These catalysts were applied to the hydrodesulfurization and liquefaction of coal-derived intermediates. The reactions of model organosulfur compounds and coal liquids were carried outmore » at 300{degrees}-400{degrees}C for 3 hours in the presence of 1000 psi of molecular hydrogen. Reaction products were analyzed by GC/FT-IR/MS/AED. The catalysts have been found to be very effective in removing sulfur from model compounds as well as liquefaction products.« less

Multichannel loudness compensation method based on segmented sound pressure level for digital hearing aids

NASA Astrophysics Data System (ADS)

Liang, Ruiyu; Xi, Ji; Bao, Yongqiang

2017-07-01

To improve the performance of gain compensation based on three-segment sound pressure level (SPL) in hearing aids, an improved multichannel loudness compensation method based on eight-segment SPL was proposed. Firstly, the uniform cosine modulated filter bank was designed. Then, the adjacent channels which have low or gradual slopes were adaptively merged to obtain the corresponding non-uniform cosine modulated filter according to the audiogram of hearing impaired persons. Secondly, the input speech was decomposed into sub-band signals and the SPL of every sub-band signal was computed. Meanwhile, the audible SPL range from 0 dB SPL to 120 dB SPL was equally divided into eight segments. Based on these segments, a different prescription formula was designed to compute more detailed gain to compensate according to the audiogram and the computed SPL. Finally, the enhanced signal was synthesized. Objective experiments showed the decomposed signals after cosine modulated filter bank have little distortion. Objective experiments showed that the hearing aids speech perception index (HASPI) and hearing aids speech quality index (HASQI) increased 0.083 and 0.082 on average, respectively. Subjective experiments showed the proposed algorithm can effectively improve the speech recognition of six hearing impaired persons.

Using GREENSCOPE Indicators for Sustainable Computer-Aided Process Evaluation and Design

EPA Science Inventory

Manufacturing sustainability can be increased by educating those who design, construct, and operate facilities, and by using appropriate tools for process evaluation and design. The U.S. Environmental Protection Agency's GREENSCOPE methodology and tool, for evaluation and design ...

New Insights into Teaching Apparel Design.

ERIC Educational Resources Information Center

Capjack, Linda

1993-01-01

Describes projects intended to integrate competitive strategies, develop research skills, increase problem-solving ability, and foster a closer link with the apparel industry: the design of children's wear using computer-aided design technology and a project using the Functional Design Process. (Author/JOW)

NASA Tech Briefs, July 1994. Volume 18, No. 7

NASA Technical Reports Server (NTRS)

1994-01-01

Topics covered include: Computer-Aided Design and Engineering; Electronic Components and Circuits; Electronic Systems; Physical Sciences; Materials; Computer Programs; Mechanics; Machinery/Automation; Manufacturing/Fabrication; Mathematics and Information Sciences; Life Sciences; Books and Reports

NASA Tech Briefs, November 2000. Volume 24, No. 11

NASA Technical Reports Server (NTRS)

2000-01-01

Topics covered include: Computer-Aided Design and Engineering; Electronic Components and Circuits; Electronic Systems; Test and Measurement; Physical Sciences; Materials; Computer Programs; Mechanics; Machinery/Automation; Manufacturing/Fabrication; Mathematics and Information Sciences; Data Acquisition.

NASA Tech Briefs, April 1996. Volume 20, No. 4

NASA Technical Reports Server (NTRS)

1996-01-01

Topics covered include: Advanced Composites and Plastics; Computer-Aided Design and Engineering; Electronic Components and Circuits; Electronic Systems; Physical Sciences; Materials; Computer Programs; Mechanics; Machinery/Automation; Manufacturing/Fabrication; Mathematics and Information; Books and Reports.

NASA Tech Briefs, October 1994. Volume 18, No. 10

NASA Technical Reports Server (NTRS)

1994-01-01

Topics: Data Acquisition and Analysis; Computer-Aided Design and Engineering; Electronic Components and Circuits; Electronic Systems; Physical Sciences; Materials; Computer Programs; Mechanics; Machinery; Fabrication Technology; Mathematics and Information Sciences; Life Sciences; Books and Reports

Computer-aided design of biological circuits using TinkerCell

PubMed Central

Bergmann, Frank T; Sauro, Herbert M

2010-01-01

Synthetic biology is an engineering discipline that builds on modeling practices from systems biology and wet-lab techniques from genetic engineering. As synthetic biology advances, efficient procedures will be developed that will allow a synthetic biologist to design, analyze and build biological networks. In this idealized pipeline, computer-aided design (CAD) is a necessary component. The role of a CAD application would be to allow efficient transition from a general design to a final product. TinkerCell is a design tool for serving this purpose in synthetic biology. In TinkerCell, users build biological networks using biological parts and modules. The network can be analyzed using one of several functions provided by TinkerCell or custom programs from third-party sources. Since best practices for modeling and constructing synthetic biology networks have not yet been established, TinkerCell is designed as a flexible and extensible application that can adjust itself to changes in the field. PMID:21327060

Computer-Aided Molecular Design of Bis-phosphine Oxide Lanthanide Extractants

DOE PAGES

McCann, Billy W.; Silva, Nuwan De; Windus, Theresa L.; ...

2016-02-17

Computer-aided molecular design and high-throughput screening of viable host architectures can significantly reduce the efforts in the design of novel ligands for efficient extraction of rare earth elements. This paper presents a computational approach to the deliberate design of bis-phosphine oxide host architectures that are structurally organized for complexation of trivalent lanthanides. Molecule building software, HostDesigner, was interfaced with molecular mechanics software, PCModel, providing a tool for generating and screening millions of potential R 2(O)P-link-P(O)R 2 ligand geometries. The molecular mechanics ranking of ligand structures is consistent with both the solution-phase free energies of complexation obtained with density functional theorymore » and the performance of known bis-phosphine oxide extractants. For the case where link is -CH 2-, evaluation of the ligand geometry provides the first characterization of a steric origin for the ‘anomalous aryl strengthening’ effect. The design approach has identified a number of novel bis-phosphine oxide ligands that are better organized for lanthanide complexation than previously studied examples.« less

Fabrication of tissue engineered tympanic membrane patches using computer-aided design and injection molding.

PubMed

Hott, Morgan E; Megerian, Cliff A; Beane, Rich; Bonassar, Lawrence J

2004-07-01

The goal of the current study was to use computer-aided design and injection molding technologies to tissue engineer precisely shaped cartilage in the shape of butterfly tympanic membrane patches out of chondrocyte-seeded calcium alginate gels. Molds were designed on SolidWorks 2000 and built out of acrylonitrile butadiene styrene (ABS) using fused deposition modeling (FDM). Tympanic membrane patches were fabricated using bovine articular chondrocytes seeded at 50 x 10 cells/mL in 2% calcium alginate gels. Molded patches were cultured in vitro for up to 10 weeks and assessed biochemically, morphologically, and histologically. Unmolded patches demonstrated outstanding dimensional fidelity, with a volumetric precision of at least 3 microL, and maintained their shape well for up to 10 weeks of in vitro culture. Glycosaminoglycan and collagen content increased steadily over 10 weeks in culture, demonstrating continual deposition of new extracellular matrix consistent with new tissue development. The use of computer-aided design and injection molding technologies allows for the fabrication of very small, precisely shaped chondrocyte-seeded calcium alginate structures that faithfully maintain their shape during in vitro culture. In vitro fabrication of tympanic membrane patches with a precisely controlled geometry may have the potential to provide a minimally invasive alternative to traditional methods for the repair of chronic tympanic membrane perforations.

MCST Research Operations | NREL

Science.gov Websites

Readiness. Laboratory Utilization. Custom Research Equipment Design-Build Capabilities. Add short description Concept and Design Design Requirements Assessment Controls and Automation Design-Build Services International (SEMI) S2 standard assessment Computer-Aided Design (CAD)/Piping and Instrumentation Diagram (P

A method for using solid modeling CAD software to create an implant library for the fabrication of a custom abutment.

PubMed

Zhang, Jing; Zhang, Rimei; Ren, Guanghui; Zhang, Xiaojie

2017-02-01

This article describes a method that incorporates the solid modeling CAD software Solidworks with a dental milling machine to fabricate individual abutments in house. This process involves creating an implant library with 3-dimensional (3D) models and manufacturing a base, scan element, abutment, and crown anatomy. The 3D models can be imported into any dental computer-aided design and computer-aided (CAD-CAM) manufacturing system. This platform increases abutment design flexibility, as the base and scan elements can be designed to fit several shapes as needed to meet clinical requirements. Copyright © 2016 Editorial Council for the Journal of Prosthetic Dentistry. Published by Elsevier Inc. All rights reserved.

A dental vision system for accurate 3D tooth modeling.

PubMed

Zhang, Li; Alemzadeh, K

2006-01-01

This paper describes an active vision system based reverse engineering approach to extract the three-dimensional (3D) geometric information from dental teeth and transfer this information into Computer-Aided Design/Computer-Aided Manufacture (CAD/CAM) systems to improve the accuracy of 3D teeth models and at the same time improve the quality of the construction units to help patient care. The vision system involves the development of a dental vision rig, edge detection, boundary tracing and fast & accurate 3D modeling from a sequence of sliced silhouettes of physical models. The rig is designed using engineering design methods such as a concept selection matrix and weighted objectives evaluation chart. Reconstruction results and accuracy evaluation are presented on digitizing different teeth models.

Determination of Optimal Parameters for Dual-Layer Cathode of Polymer Electrolyte Fuel Cell Using Computational Intelligence-Aided Design

PubMed Central

Chen, Yi; Huang, Weina; Peng, Bei

2014-01-01

Because of the demands for sustainable and renewable energy, fuel cells have become increasingly popular, particularly the polymer electrolyte fuel cell (PEFC). Among the various components, the cathode plays a key role in the operation of a PEFC. In this study, a quantitative dual-layer cathode model was proposed for determining the optimal parameters that minimize the over-potential difference and improve the efficiency using a newly developed bat swarm algorithm with a variable population embedded in the computational intelligence-aided design. The simulation results were in agreement with previously reported results, suggesting that the proposed technique has potential applications for automating and optimizing the design of PEFCs. PMID:25490761

Index of Selected Publications Through December 1983,

DTIC Science & Technology

1984-03-01

substantiating methodology , and is designed mainly for * readers with a professional interest in the subject but do * not have a primary responsibility in that...Navy in postwar American security policy -- computer subroutines - CRC 20 H 1052 experimental design techniques, computer North Atlantic-Norwegian...statistical tion and Congestion, With an Example from Southern experimental design technique aids the analysis California, 27 pp., Jan 1971, AD 719 906 of

The Triangle: a Multiprocessor Architecture for Fast Curve and Surface Generation.

DTIC Science & Technology

1987-08-01

design , curves and surfaces, graphics hardware. 20...curves, B-splines, computer-aided geometric design ; curves and sur- faces, graphics hardware. (k 12). -/ .... This work was supported in part by the...34 Electronic Design , October 30, 1986. 21. M. A. Penna and R. R. Patterson, Projective Geometry and its Applications to Computer Graphics , Prentice-Hall, Englewood Cliffs, N.J., 1985. 70,e, 41100vr -~ ~ - -- --

Computer-aided resection and endoprosthesis design for the management of malignant bone tumors around the knee: outcomes of 12 cases.

PubMed

Ding, Huan-wen; Yu, Guang-wen; Tu, Qiang; Liu, Bao; Shen, Jian-jian; Wang, Hong; Wang, Ying-jun

2013-11-22

To report the outcomes of computer-aided resection and endoprosthesis design for the management of malignant bone tumors around the knee. Computed tomography (CT) and magnetic resonance imaging (MRI) data were input into computer software to produce three-dimensional (3D) models of the tumor extent. Imaging data was then used to create a template for surgical resection, and development of an individualized combined allogeneic bone/endoprosthesis. Surgical simulations were performed prior to the actual surgery. This study included 9 males and 3 females with a mean age of 25.3 years (range, 13 to 40 years). There were 9 tumors in the distal femur and 3 in the proximal tibia. There were no surgical complications. In all cases pathologically confirmed clear surgical margins were obtained. Postoperative radiographs showed the range of tumor resection was in accordance with the preoperative design, and the morphological reconstruction of the bone defect was satisfactory with complete bilateral symmetry. The mean follow-up time was 26.5 months. Two patients died of their disease and the remaining are alive and well without evidence of recurrence. All patients are able to ambulate freely without restrictions. At the last follow-up, the average International Society of Limb Salvage score was 25.8 (range, 18 to 27), and was excellent in 8 cases and good in 4 cases. Computer-aided design and modeling for the surgical management of bone tumors and subsequent limb reconstruction provides accurate tumor removal with the salvage of a maximal amount of unaffected bone and precise endoprosthesis reconstruction.

Application programs written by using customizing tools of a computer-aided design system

DOE Office of Scientific and Technical Information (OSTI.GOV)

Li, X.; Huang, R.; Juricic, D.

1995-12-31

Customizing tools of Computer-Aided Design Systems have been developed to such a degree as to become equivalent to powerful higher-level programming languages that are especially suitable for graphics applications. Two examples of application programs written by using AutoCAD`s customizing tools are given in some detail to illustrate their power. One tool uses AutoLISP list-processing language to develop an application program that produces four views of a given solid model. The other uses AutoCAD Developmental System, based on program modules written in C, to produce an application program that renders a freehand sketch from a given CAD drawing.

A dc model for power switching transistors suitable for computer-aided design and analysis

NASA Technical Reports Server (NTRS)

Wilson, P. M.; George, R. T., Jr.; Owen, H. A., Jr.; Wilson, T. G.

1979-01-01

The proposed dc model for bipolar junction power switching transistors is based on measurements which may be made with standard laboratory equipment. Those nonlinearities which are of importance to power electronics design are emphasized. Measurements procedures are discussed in detail. A model formulation adapted for use with a computer program is presented, and a comparison between actual and computer-generated results is made.

Secondary Maxillary and Orbital Floor Reconstruction With a Free Scapular Flap Using Cutting and Fixation Guides Created by Computer-Aided Design/Computer-Aided Manufacturing.

PubMed

Morita, Daiki; Numajiri, Toshiaki; Tsujiko, Shoko; Nakamura, Hiroko; Yamochi, Ryo; Sowa, Yoshihiro; Yasuda, Makoto; Hirano, Shigeru

2017-11-01

Computer-aided design/computer-aided manufacturing (CAD/CAM) guides are now widely used in maxillofacial reconstruction. However, there are few reports of CAD/CAM guides being used for scapular flaps. The authors performed the secondary maxillary and orbital floor reconstruction using a free latissimus dorsi muscle, cutaneous tissue, and scapular flap designed using CAD/CAM techniques in a 72-year-old man who had undergone partial maxillectomy four years previously. The patient had diplopia, the vertical dystopia of eye position, and a large oral-nasal-cutaneous fistula. After the operation, the authors confirmed that the deviation between the postoperative and preoperative planning three-dimensional images was less than 2 mm. Because scapular guides require 3 cutting surfaces, the shape of the scapular guide is more complex than that of a conventional fibular guide. In orbital floor reconstruction, the use of a CAM technique such as that used to manufacture the authors' fixation guide is as necessary for accurate, safe, and easy reconstruction as is preoperative CAD planning. The production of a fixation guide as well as a cutting guide is particularly useful because it is difficult to determine the angle for reconstructing the orbital floor by freehand techniques. In this case, the orbital floor was reconstructed based on a mirror image of the healthy side to avoid overcompression of the orbital tissue. Although the patient's vertical dystopia of eye position was improved, diplopia was not improved because, for greater safety, the authors did not plan overcorrection of the orbital volume.

Accuracy of different types of computer-aided design/computer-aided manufacturing surgical guides for dental implant placement

PubMed Central

Geng, Wei; Liu, Changying; Su, Yucheng; Li, Jun; Zhou, Yanmin

2015-01-01

Purpose: To evaluate the clinical outcomes of implants placed using different types of computer-aided design/computer-aided manufacturing (CAD/CAM) surgical guides, including partially guided and totally guided templates, and determine the accuracy of these guides Materials and methods: In total, 111 implants were placed in 24 patients using CAD/CAM surgical guides. After implant insertion, the positions and angulations of the placed implants relative to those of the planned ones were determined using special software that matched pre- and postoperative computed tomography (CT) images, and deviations were calculated and compared between the different guides and templates. Results: The mean angular deviations were 1.72 ± 1.67 and 2.71 ± 2.58, the mean deviations in position at the neck were 0.27 ± 0.24 and 0.69 ± 0.66 mm, the mean deviations in position at the apex were 0.37 ± 0.35 and 0.94 ± 0.75 mm, and the mean depth deviations were 0.32 ± 0.32 and 0.51 ± 0.48 mm with tooth- and mucosa-supported stereolithographic guides, respectively (P < .05 for all). The mean distance deviations when partially guided (29 implants) and totally guided templates (30 implants) were used were 0.54 ± 0.50 mm and 0.89 ± 0.78 mm, respectively, at the neck and 1.10 ± 0.85 mm and 0.81 ± 0.64 mm, respectively, at the apex, with corresponding mean angular deviations of 2.56 ± 2.23° and 2.90 ± 3.0° (P > .05 for all). Conclusions: Tooth-supported surgical guides may be more accurate than mucosa-supported guides, while both partially and totally guided templates can simplify surgery and aid in optimal implant placement. PMID:26309497

Development of Computer-Based Resources for Textile Education.

ERIC Educational Resources Information Center

Hopkins, Teresa; Thomas, Andrew; Bailey, Mike

1998-01-01

Describes the production of computer-based resources for students of textiles and engineering in the United Kingdom. Highlights include funding by the Teaching and Learning Technology Programme (TLTP), courseware author/subject expert interaction, usage test and evaluation, authoring software, graphics, computer-aided design simulation, self-test…

Argonne Discovery Yields Self-Healing Diamond-Like Carbon

DOE Office of Scientific and Technical Information (OSTI.GOV)

Cunningham, Greg; Jones, Katie Elyce

We report that large-scale reactive molecular dynamics simulations carried out on the US Department of Energy’s IBM Blue Gene/Q Mira supercomputer at the Argonne Leadership Computing Facility, along with experiments conducted by researchers in Argonne’s Energy Systems Division, enabled the design of a “self-healing” anti-wear coating that drastically reduces friction and related degradation in engines and moving machinery. Now, the computational work advanced for this purpose is being used to identify the friction-fighting potential of other catalysts.

Argonne Discovery Yields Self-Healing Diamond-Like Carbon

DOE PAGES

Cunningham, Greg; Jones, Katie Elyce

2016-10-27

We report that large-scale reactive molecular dynamics simulations carried out on the US Department of Energy’s IBM Blue Gene/Q Mira supercomputer at the Argonne Leadership Computing Facility, along with experiments conducted by researchers in Argonne’s Energy Systems Division, enabled the design of a “self-healing” anti-wear coating that drastically reduces friction and related degradation in engines and moving machinery. Now, the computational work advanced for this purpose is being used to identify the friction-fighting potential of other catalysts.

Learning Reverse Engineering and Simulation with Design Visualization

NASA Technical Reports Server (NTRS)

Hemsworth, Paul J.

2018-01-01

The Design Visualization (DV) group supports work at the Kennedy Space Center by utilizing metrology data with Computer-Aided Design (CAD) models and simulations to provide accurate visual representations that aid in decision-making. The capability to measure and simulate objects in real time helps to predict and avoid potential problems before they become expensive in addition to facilitating the planning of operations. I had the opportunity to work on existing and new models and simulations in support of DV and NASA’s Exploration Ground Systems (EGS).

[Overall digitalization: leading innovation of endodontics in big data era].

PubMed

Ling, J Q

2016-04-09

In big data era, digital technologies bring great challenges and opportunities to modern stomatology. The applications of digital technologies, such as cone-beam CT(CBCT), computer aided design,(CAD)and computer aided manufacture(CAM), 3D printing and digital approaches for education , provide new concepts and patterns to the treatment and study of endodontic diseases. This review provides an overview of the application and prospect of commonly used digital technologies in the development of endodontics.

A SINDA thermal model using CAD/CAE technologies

NASA Technical Reports Server (NTRS)

Rodriguez, Jose A.; Spencer, Steve

1992-01-01

The approach to thermal analysis described by this paper is a technique that incorporates Computer Aided Design (CAD) and Computer Aided Engineering (CAE) to develop a thermal model that has the advantages of Finite Element Methods (FEM) without abandoning the unique advantages of Finite Difference Methods (FDM) in the analysis of thermal systems. The incorporation of existing CAD geometry, the powerful use of a pre and post processor and the ability to do interdisciplinary analysis, will be described.

Composite panel development at JPL

NASA Technical Reports Server (NTRS)

Mcelroy, Paul; Helms, Rich

1988-01-01

Parametric computer studies can be use in a cost effective manner to determine optimized composite mirror panel designs. An InterDisciplinary computer Model (IDM) was created to aid in the development of high precision reflector panels for LDR. The materials properties, thermal responses, structural geometries, and radio/optical precision are synergistically analyzed for specific panel designs. Promising panels designs are fabricated and tested so that comparison with panel test results can be used to verify performance prediction models and accommodate design refinement. The iterative approach of computer design and model refinement with performance testing and materials optimization has shown good results for LDR panels.

Precision of a CAD/CAM-engineered surgical template based on a facebow for orthognathic surgery: an experiment with a rapid prototyping maxillary model.

PubMed

Lee, Jae-Won; Lim, Se-Ho; Kim, Moon-Key; Kang, Sang-Hoon

2015-12-01

We examined the precision of a computer-aided design/computer-aided manufacturing-engineered, manufactured, facebow-based surgical guide template (facebow wafer) by comparing it with a bite splint-type orthognathic computer-aided design/computer-aided manufacturing-engineered surgical guide template (bite wafer). We used 24 rapid prototyping (RP) models of the craniofacial skeleton with maxillary deformities. Twelve RP models each were used for the facebow wafer group and the bite wafer group (experimental group). Experimental maxillary orthognathic surgery was performed on the RP models of both groups. Errors were evaluated through comparisons with surgical simulations. We measured the minimum distances from 3 planes of reference to determine the vertical, lateral, and anteroposterior errors at specific measurement points. The measured errors were compared between experimental groups using a t test. There were significant intergroup differences in the lateral error when we compared the absolute values of the 3-D linear distance, as well as vertical, lateral, and anteroposterior errors between experimental groups. The bite wafer method exhibited little lateral error overall and little error in the anterior tooth region. The facebow wafer method exhibited very little vertical error in the posterior molar region. The clinical precision of the facebow wafer method did not significantly exceed that of the bite wafer method. Copyright © 2015 Elsevier Inc. All rights reserved.

In vitro Fracture strength and hardness of different computer-aided design/computer-aided manufacturing inlays.

PubMed

Sagsoz, O; Yildiz, M; Hojjat Ghahramanzadeh, A S L; Alsaran, A

2018-03-01

The purpose of this study was to examine the fracture strength and surface microhardness of computer-aided design/computer-aided manufacturing (CAD/CAM) materials in vitro. Mesial-occlusal-distal inlays were made from five different CAD/CAM materials (feldspathic ceramic, CEREC blocs; leucite-reinforced ceramic, IPS Empress CAD; resin nano ceramic, 3M ESPE Lava Ultimate; hybrid ceramic, VITA Enamic; and lithium disilicate ceramic, IPS e.max CAD) using CEREC 4 CAD/CAM system. Samples were adhesively cemented to metal analogs with a resin cement (3M ESPE, U200). The fracture tests were carried out with a universal testing machine. Furthermore, five samples were prepared from each CAD/CAM material for micro-Vickers hardness test. Data were analyzed with statistics software SPSS 20 (IBM Corp., New York, USA). Fracture strength of lithium disilicate inlays (3949 N) was found to be higher than other ceramic inlays (P < 0.05). There was no difference between other inlays statistically (P > 0.05). The highest micro-Vickers hardness was measured in lithium disilicate samples, and the lowest was in resin nano ceramic samples. Fracture strength results demonstrate that inlays can withstand the forces in the mouth. Statistical results showed that fracture strength and micro-Vickers hardness of feldspathic ceramic, leucite-reinforced ceramic, and lithium disilicate ceramic materials had a positive correlation.

A novel technique for presurgical nasoalveolar molding using computer-aided reverse engineering and rapid prototyping.

PubMed

Yu, Quan; Gong, Xin; Wang, Guo-Min; Yu, Zhe-Yuan; Qian, Yu-Fen; Shen, Gang

2011-01-01

To establish a new method of presurgical nasoalveolar molding (NAM) using computer-aided reverse engineering and rapid prototyping technique in infants with unilateral cleft lip and palate (UCLP). Five infants (2 males and 3 females with mean age of 1.2 w) with complete UCLP were recruited. All patients were subjected to NAM before the cleft lip repair. The upper denture casts were recorded using a three-dimensional laser scanner within 2 weeks after birth in UCLP infants. A digital model was constructed and analyzed to simulate the NAM procedure with reverse engineering software. The digital geometrical data were exported to print the solid model with rapid prototyping system. The whole set of appliances was fabricated based on these solid models. Laser scanning and digital model construction simplified the NAM procedure and estimated the treatment objective. The appliances were fabricated based on the rapid prototyping technique, and for each patient, the complete set of appliances could be obtained at one time. By the end of presurgical NAM treatment, the cleft was narrowed, and the malformation of nasoalveolar segments was aligned normally. We have developed a novel technique of presurgical NAM based on a computer-aided design. The accurate digital denture model of UCLP infants could be obtained with laser scanning. The treatment design and appliance fabrication could be simplified with a computer-aided reverse engineering and rapid prototyping technique.

Human factors of intelligent computer aided display design

NASA Technical Reports Server (NTRS)

Hunt, R. M.

1985-01-01

Design concepts for a decision support system being studied at NASA Langley as an aid to visual display unit (VDU) designers are described. Ideally, human factors should be taken into account by VDU designers. In reality, although the human factors database on VDUs is small, such systems must be constantly developed. Human factors are therefore a secondary consideration. An expert system will thus serve mainly in an advisory capacity. Functions can include facilitating the design process by shortening the time to generate and alter drawings, enhancing the capability of breaking design requirements down into simpler functions, and providing visual displays equivalent to the final product. The VDU system could also discriminate, and display the difference, between designer decisions and machine inferences. The system could also aid in analyzing the effects of designer choices on future options and in ennunciating when there are data available on a design selections.