Software Program

The use of computer software RP programs in design, RP property data, processing fabrication, troubleshooting, and related fields is widespread. It is increasingly important to keep up to date continually with the nature and prospects of new software technologies. 

The material selection phase of design, like the concept phase, is based upon accumulated knowledge via literature searches and/or personal design experiences with performance of materials in previous 

Mathematically speaking, stress analysis is a boundary value field problem in which a set of differential equations must be solved, subject to a number of constraints. It is possible to outline the general nature of the problem by means of simple examples that contain most of the concepts used in structures that are more complicated. These types of examples illustrate what is sometimes called elementary or direct approach to stress analysis, which is the approach used in developing many of the stress equations listed in mechanical engineering design handbooks or textbooks. 

There are some commercial databases products in addition to the sources listed above, such as ChemSources International (http //www.chemsources.com/csintl.htm), which includes the products of more than 8,000 chemical companies worldwide. The Chemical Section lists approximately 275,000 chemical compounds and provides contact data necessary for making direct inquiries to each chemical firm. The product is available at a cost of approximately 1,100 for a single user CD-ROM license. 

MolMall features the Rare Chemical Samples ExchangeCenter. Compounds are made available from small samples provided by individual researchers. Full structure search or substructure searches are permitted on the web site, as well as for the name of the submitter and several other very useful searching functions. Links to Molecules MolBank (http //www.molbank.org) papers if the compounds are published there. There are plans to allow the sample submitters to add additional information to the data sheet, such as the literature where the compound was published. 

Chemlndrrstry.com site enables the user to enter a product name and then search a database of web sites related to various chemical suppliers. 

Text and CAS number search capability. Fairly limited selection. 

A commercial product through CambridgeSoft, Available Chemicals Xchange features the complete catalogs of over 200 vendors. 

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Figure Bl.21.1. Atomic hard-ball models of low-Miller-index bulk-temiinated surfaces of simple metals with face-centred close-packed (fee), hexagonal close-packed (licp) and body-centred cubic (bcc) lattices (a) fee (lll)-(l X 1) (b)fcc(lO -(l X l) (c)fcc(110)-(l X 1) (d)hcp(0001)-(l x 1) (e) hcp(l0-10)-(l X 1), usually written as hcp(l010)-(l x 1) (f) bcc(l 10)-(1 x ]) (g) bcc(100)-(l x 1) and (li) bcc(l 11)-(1 x 1). The atomic spheres are drawn with radii that are smaller than touching-sphere radii, in order to give better depth views. The arrows are unit cell vectors. These figures were produced by the software program BALSAC [35]-...

For all the different methods of chemical visualization, a lar e number of special techniques arc available, depending on the purpose of visualization. These software programs can be installed on a local computer or can be operated via the Internet. An ovemew of these programs is given in Section 2.12.3. 

The Rekker approach is still used with revised Z/ systems, e.g., in the software program Z/SYBYL [8]. Over recent decades various other substructure-based approaches have been developed that are mostly implemented and available as computer programs. 

Cl results can vary a little bit from one software program to another for open-shell molecules. This is because of the HF reference state being used. Some programs, such as Gaussian, use a UHF reference state. Other programs, such as MOLPRO and MOLCAS, use a ROHF reference state. The difference in results is generally fairly small and becomes smaller with higher-order calculations. In the limit of a full Cl, there is no difference. 

Computers, often combined with transputers, are used for three main functions when connected to a mass spectrometer. The foremost requirements involve the acquisition and preprocessing of basic data and the control of the instrument s scanning operations. Additional software programs are available to manipulate the preprocessed data in a wide variety of ways depending on what is required, e.g., a mass spectrum or a total ion chromatogram. 

The memory units within the computer — known as random access memory (RAM) — must be capable of change as needed to run software programs. 

Software programs are usually written in a more user-friendly high-level language such as Fortran, Pascal, or C, which facilitates the tedious and labor-intensive task of writing a computer program. 

Although much easier to assemble, a software program written in a high-level language requires more time for the computer to execute, since all the instructions must be translated into machine code before the computer can understand them. Even a simple statement like start in a high-level language requires several machine-code moves to execute. 

Once the mass spectral information has been acquired, various software programs can be employed to print out a complete or partial spectrum, a raw or normalized spectrum, a total ion current (TIC) chromatogram, a mass chromatogram, accurate mass data, and metastable or MS/MS spectra. 

NBO, GAUSSIAN, SPARTAN, MOPAC, Standalone software programs (workstation versions) quantum mechanical ... 

There are also laser-scanning confocal microscopes rapidly overtaking the TSM as a means of confocal microscopy. There is also a computer software program that produces a "confocal" image by recogni2ing the shapes of out-of-focus detail, ie, halos, and subtracting these from the in-focus image. 

The use of color graphics is also an effective means for displaying chemical stmctures. This method is far better than typesetting the three-dimensional architecture of complex multimolecule assembly (112). For developing in-house CAD software programs, the three-dimensional, sohd-modeling capabiUties of SdverScreen can also be utilized either in monochrome or color for constmction of such stmctures (113). 

There are several software programs that are available to model flow... 

In addition to these paper tools, there are several commercially available health, safety, and environmental audit software programs that can be customized to meet specific needs. 

Section 1. Provides a checklist for evaluating the computer hardware (equipment) and additional software (programs) required to operate the system. The flexibility and ease of use of the system and the availability of training and other types of vendor support are also addressed. 

Data handling and process control software program for wastewater treatment plants. Requires Apple II. 

Water and wastewater cost estimation software program. Contains extensive cost data. 

Thus, the size of the relief deviee is signifieantly smaller than for two-phase flow. Sizing for all vapor relief will undoubtedly give an ineorreet result, and the reaetor would be severely tested during this runaway oeeurrenee. Table 12-7 gives the results of the VENT software program of Example 12-4. 

Computer software programs, fault trees and event trees are other diagrams that provide useful information. 

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