Zvonimir B. Maksic (Ed.): Atomic Hypothesis and the Concept of Molecular Structure, Part 1 von: Theoretical Models of Chemical Bonding, Springer-Verlag, Berlin, Heidelberg, New York, ISBN 3-540-51578-X, 1990, 324 Seiten, Preis: DM 350,-.

1991 ◽  
Vol 95 (11) ◽  
pp. 1577-1578
Author(s):  
S. Peyerimhoff
Keyword(s):  
Molecular Structure ◽  
New York ◽  
Chemical Bonding ◽  
Theoretical Models ◽  
Atomic Hypothesis

Chemical Bonding and Molecular Structure

2007 ◽  
pp. 1-117 ◽  
Author(s):  
Francis A. Carey ◽  
Richard J. Sundberg
Keyword(s):  
Molecular Structure ◽  
Chemical Bonding

Molecular Structure Determination on the Grid

2012 ◽  
pp. 862-880
Author(s):  
Russ Miller ◽  
Charles Weeks
Keyword(s):  
Molecular Structure ◽  
New York ◽  
Data Storage ◽  
New York State ◽  
Open Science ◽  
Data Sets ◽  
Distributed Resources ◽  
Data Repositories ◽  
Computational Resources ◽  
Open Science Grid

Grids represent an emerging technology that allows geographically- and organizationally-distributed resources (e.g., computer systems, data repositories, sensors, imaging systems, and so forth) to be linked in a fashion that is transparent to the user. The New York State Grid (NYS Grid) is an integrated computational and data grid that provides access to a wide variety of resources to users from around the world. NYS Grid can be accessed via a Web portal, where the users have access to their data sets and applications, but do not need to be made aware of the details of the data storage or computational devices that are specifically employed in solving their problems. Grid-enabled versions of the SnB and BnP programs, which implement the Shake-and-Bake method of molecular structure (SnB) and substructure (BnP) determination, respectively, have been deployed on NYS Grid. Further, through the Grid Portal, SnB has been run simultaneously on all computational resources on NYS Grid as well as on more than 1100 of the over 3000 processors available through the Open Science Grid.

Numerical Modelling and Development of New Technical Solutions in Metallurgy and Material Processing

2020 ◽  
Vol 304 ◽  
pp. 113-119
Author(s):  
Alexander Pesin ◽  
Puneet Tandon ◽  
Denis Pustovoytov ◽  
Alexey Korchunov ◽  
Ilya Pesin ◽  
...  
Keyword(s):  
New York ◽  
High Strength ◽  
Theoretical Models ◽  
Experimental Investigations ◽  
Asymmetrical Rolling ◽  
Steel Making ◽  
Plate Rolling ◽  
Rapid Changes ◽  
Almost All ◽  
Technical Solutions

There have been no breakthroughs in ferrous metallurgy for the last 80 years. Automation and digitalization arrived, while the actual steel making processes saw almost no changes. Today, almost all industries experience rapid changes. In 2018 we will see a launch of trains that can travel as fast as1,200 km/h. In 2022 we will see aircrafts capable of flying from London to New York in 1 hour. They already know how to grow human arms and legs. And driverless taxis have become extremely popular. Should we be expecting to see a major breakthrough in metallurgy any time soon? In this paper you will learn about this and other problems, as well as possible ways to solve them. Also, the paper focuses on the results of the development of theory, mathematical models and novel processes, which were helpful in the forming of the ultra-high strength materials by combining the conventional methods of forming such as stamping, plate rolling, plastic bending and asymmetrical rolling. The ultimate aim was to manufacture parts having complex geometries of ultra-high strength sheets. Metalworking techniques like asymmetrical rolling gave rise to very high shear strains and it was used for increasing the strength of the materials. The addition of the incremental sheet forming to the varied combinations of conventional forming processes was used for increasing in the flexibility of the manufacturing process for ultra-high strength. The results of the research project were also encompassing numerical simulation and experimental investigations of the combined process accompanied by the development of the theoretical models for the same.

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