The impact of the resolution of the identity approximate integral method on modern ab initio algorithm development

1997 ◽  
Vol 97 (1-4) ◽  
pp. 158-163 ◽  
Author(s):  
Rick A. Kendall ◽  
Herbert A. Früchtl
Keyword(s):  
Ab Initio ◽  
Integral Method ◽  
Algorithm Development ◽  
Approximate Integral ◽  
Resolution Of The Identity ◽  
The Impact ◽  
Approximate Integral Method

Combined Forced and Free Convection Laminar Flow over a Vertical Plate

1973 ◽  
Vol 187 (1) ◽  
pp. 191-197
Author(s):  
A. Brown
Keyword(s):  
Laminar Flow ◽  
Free Convection ◽  
Integral Method ◽  
Vertical Plate ◽  
Convection Flow ◽  
Temperature Profiles ◽  
Approximate Integral ◽  
Forced Convection Flow ◽  
Approximate Integral Method ◽  
Vertical Flat Plate

The approximate integral method of von Kármán is adapted to analyse combined forced and free convection laminar flow over a vertical flat plate at a constant temperature. This approach produces relatively simple expressions relating velocity and temperature profiles, skin friction and heat transfer to Pr and Gr/Re2 for the situation where forced convection flow is dominant over free convection. The results of the analysis compare favourably with more exact theoretical treatments and with experiment.

Combined Forced and Free Convection Laminar Flow over a Vertical Plate

1973 ◽  
Vol 187 (1) ◽  
pp. 191-197 ◽  
Author(s):  
A. Brown
Keyword(s):  
Laminar Flow ◽  
Free Convection ◽  
Integral Method ◽  
Vertical Plate ◽  
Convection Flow ◽  
Temperature Profiles ◽  
Approximate Integral ◽  
Forced Convection Flow ◽  
Approximate Integral Method ◽  
Vertical Flat Plate

The approximate integral method of von Kármán is adapted to analyse combined forced and free convection laminar flow over a vertical flat plate at a constant temperature. This approach produces relatively simple expressions relating velocity and temperature profiles, skin friction and heat transfer to Pr and Gr/Re2 for the situation where forced convection flow is dominant over free convection. The results of the analysis compare favourably with more exact theoretical treatments and with experiment.

scholarly journals The impact of anionic vacancies on the mechanical properties of NbC and NbN: An ab initio study

2022 ◽  
Vol 203 ◽  
pp. 111113
Author(s):  
P.W. Muchiri ◽  
K.K. Korir ◽  
N.W. Makau ◽  
G.O. Amolo
Keyword(s):  
Mechanical Properties ◽  
Ab Initio ◽  
Ab Initio Study ◽  
The Impact

scholarly journals Catholic Communities and Kinship Networks of the Elizabethan Midlands

Perichoresis ◽  
2015 ◽  
Vol 13 (1) ◽  
pp. 75-97
Author(s):  
Laura Verner
Keyword(s):  
Religious Education ◽  
Integral Method ◽  
Local Level ◽  
Community Functioning ◽  
Material Support ◽  
Kinship Networks ◽  
And Function ◽  
Relationship Of ◽  
The Impact ◽  
The Relationship

Abstract An integral method of keeping a non-conforming community functioning is the construction and up keep of networks, as this web of connections provided security and protection with other non-conformists against the persecuting authorities. The non-conforming Catholic community of Elizabethan England (1558-1603) established various networks within England and abroad. This article is based on research that examines the network of Catholics in the Elizabethan Midlands in order to understand both its effectiveness and the relationship of the local and extended Catholic community with one another. The construction, function and result of these networks will be surveyed over several categories of networks, such as local, underground, clerical and exile. Members of the Midland Catholic community travelled to others areas of the British Isles and Europe to gather spiritual and material support for their faith, sent their children abroad for religious education, and resettled abroad creating in this wake a larger and complex international network. The main objective of this exercise is to show the dynamic and function of the network, and understand the impact it had at the local level for Midland Catholics.

scholarly journals Impact of Nano-Scale Distribution of Atoms on Electronic and Magnetic Properties of Phases in Fe-Al Nanocomposites: An Ab Initio Study

Nanomaterials ◽  
2018 ◽  
Vol 8 (12) ◽  
pp. 1059 ◽  
Author(s):  
Ivana Miháliková ◽  
Martin Friák ◽  
Yvonna Jirásková ◽  
David Holec ◽  
Nikola Koutná ◽  
...  
Keyword(s):  
Ab Initio ◽  
Density Functional ◽  
Nearest Neighbor ◽  
Magnetic Moments ◽  
Generalized Gradient ◽  
Functional Theory ◽  
Α Phase ◽  
Ordered Intermetallic ◽  
Random Structures ◽  
The Impact

Quantum-mechanical calculations are applied to examine magnetic and electronic properties of phases appearing in binary Fe-Al-based nanocomposites. The calculations are carried out using the Vienna Ab-initio Simulation Package which implements density functional theory and generalized gradient approximation. The focus is on a disordered solid solution with 18.75 at. % Al in body-centered-cubic ferromagnetic iron, so-called α -phase, and an ordered intermetallic compound Fe 3 Al with the D0 3 structure. In order to reveal the impact of the actual atomic distribution in the disordered Fe-Al α -phase three different special quasi-random structures with or without the 1st and/or 2nd nearest-neighbor Al-Al pairs are used. According to our calculations, energy decreases when eliminating the 1st and 2nd nearest neighbor Al-Al pairs. On the other hand, the local magnetic moments of the Fe atoms decrease with Al concentration in the 1st coordination sphere and increase if the concentration of Al atoms increases in the 2nd one. Furthermore, when simulating Fe-Al/Fe 3 Al nanocomposites (superlattices), changes of local magnetic moments of the Fe atoms up to 0.5 μ B are predicted. These changes very sensitively depend on both the distribution of atoms and the crystallographic orientation of the interfaces.

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