scholarly journals Computed Property Data Base: CPDB-Development of an Integrated Software Tool for Molecular Design: MolWorks-

2006 ◽  
Vol 5 (1) ◽  
pp. 23-28 ◽  
Author(s):  
Sumie TAJIMA ◽  
Tohru YAGI ◽  
Tomoko FUKUDA ◽  
Umpei NAGASHIMA
2009 ◽  
Vol 25 (5) ◽  
pp. 662-663 ◽  
Author(s):  
Olivier Martin ◽  
Armand Valsesia ◽  
Amalio Telenti ◽  
Ioannis Xenarios ◽  
Brian J. Stevenson

2020 ◽  
Author(s):  
Chen Chen ◽  
Wanyu Xu ◽  
Ningning Gou ◽  
Lasu Bai ◽  
Lin Wang ◽  
...  

Abstract Background Bud dormancy in deciduous fruit trees enables plants to survive cold weather. The buds adopt dormant state and resume growth after satisfying the chilling requirements. Chilling requirements play a key role in flowering time. So far, several chilling models, including ≤ 7.2 °C model, the 0–7.2 °C model, Utah model, and Dynamic Model, have been developed; however, it is still time-consuming to determine the chilling requirements employing any model. This calls for efficient tools that can analyze data. Results In this study, we developed novel software Chilling and Heat Requirement (CHR), by flexibly integrating data conversions, model selection, calculations, statistical analysis, and plotting. Conclusion CHR is a tool for chilling requirements estimation, which will be very useful to researchers. It is very simple, easy, and user-friendly.


Author(s):  
R. Craig McClung ◽  
Paul Wawrzynek ◽  
Yi-Der Lee ◽  
Bruce J. Carter ◽  
Jonathan P. Moody ◽  
...  

Most current tools and methodologies to predict the life and reliability of fracture critical gas turbine engine components rely on stress intensity factor solutions that assume highly idealized component and crack geometries, and this can lead to highly conservative results in some cases. This paper describes a new integrated methodology to perform these assessments that combines one software tool for creating high fidelity crack growth simulations (FRANC3D) with another software tool for performing probabilistic fatigue crack growth life assessments of turbine engine components (DARWIN). DARWIN employs finite element models of component stresses, while FRANC3D performs automatic adaptive re-meshing of these models to simulate crack growth. Modifications have been performed to both codes to allow them to share and exchange data and to enhance their shared computational capabilities. Most notably, a new methodology was developed to predict the shape evolution and the fatigue lifetime for cracks that are geometrically complex and not easily parameterized by a small number of degrees of freedom. This paper describes the integrated software system and the typical combined work flow, and it shows the results from a number of analyses that demonstrate the significant features of the system.


2017 ◽  
Vol 50 (4) ◽  
pp. 1235-1240 ◽  
Author(s):  
Ahmed Abass ◽  
James S. Bell ◽  
Martin T. Spang ◽  
Sally Hayes ◽  
Keith M. Meek ◽  
...  

This article provides an overview of a new integrated software tool for reduction and analysis of small-angle X-ray scattering (SAXS) data from fibrous collagen tissues, with some wider applicability to other cylindrically symmetric scattering systems.SAXS4COLLcombines interactive features for data pre-processing, bespoke background subtraction, semi-automated peak detection and calibration. Both equatorial and meridional SAXS peak parameters can be measured, and the former can be deconstructed into cylinder and lattice contributions. Finally, the software combines functionality for determination of collagen spatial order parameters with a rudimentary orientation plot capability.


2020 ◽  
Vol 53 (2) ◽  
pp. 561-568
Author(s):  
Rui-Xun Xie ◽  
Wen-Zheng Zhang

τompas (TEM online multi-purpose analyzing system) is a free and integrated software tool designed to perform online crystallographic analysis in transmission electron microscopy (TEM) experiments. By using sample holder tilt angles as input, τompas can simultaneously simulate pole figures, Kikuchi patterns and feature projections, providing graphical views of the sample crystallography. These simulations are further employed to navigate sample tilting and to quickly interpret experimental Kikuchi patterns and images by image matching, giving self-consistent indices of features and crystal orientations. These functions are integrated with mouse operations to improve work efficiency. τompas is distributed as a small cross-platform program that can be installed on a microscope computer to cooperate with other tools.


Author(s):  
Luc Noynaert ◽  
Isi Verwaest ◽  
Henri Libon ◽  
Jean-Marie Cuchet

Decommissioning of nuclear facilities is a complex process involving operations such as detailed surveys, decontamination and dismantling of equipment’s, demolition of buildings and management of resulting waste and nuclear materials if any. This process takes place in a well-developed legal framework and is controlled and followed-up by stakeholders like the Safety Authority, the Radwaste management Agency and the Safeguards Organism. In the framework of its nuclear waste and decommissioning program and more specifically the decommissioning of the BR3 reactor, SCK•CEN has developed different software tools to secure the waste and material traceability, to support the sound management of the decommissioning project and to facilitate the control and the follow-up by the stakeholders. In the case of Belgium, it concerns the Federal Agency for Nuclear Control, the National Agency for radioactive waste management and fissile material and EURATOM and IAEA. In 2005, BELGONUCLEAIRE decided to shutdown her Dessel MOX fuel fabrication plant and the production stopped in 2006. According to the final decommissioning plan (“PDF”) approved by NIRAS, the decommissioning works should start in 2008 at the earliest. In 2006, the management of BELGONUCLEAIRE identified the need for an integrated database and decided to entrust SCK•CEN with its development, because SCK•CEN relies on previous experience in comparable applications namely already approved by authorities such as NIRAS, FANC and EURATOM. The main objectives of this integrated software tool are: • simplified and updated safeguards • waste & material traceability • computerized documentation • support to project management • periodic & final reporting to waste and safety authorities. The software called DASAO (Database for Safeguards, Waste and Decommissioning) was successfully commissioned in 2008 and extensively used from 2009 to the satisfaction of BELGONUCLEAIRE and the stakeholders. SCK•CEN is now implementing a simplified release of the software for the management of the decommissioning of the THETIS reactor. Its decommissioning will start in March 2013 and will be completed by the end of 2014.


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