Adsorption and Dissociation of CO on Body-Centered Cubic Transition Metals and Alloys: Effect of Coverage and Scaling Relations

2009 ◽  
Vol 113 (25) ◽  
pp. 11041-11049 ◽  
Author(s):  
Freek J. E. Scheijen ◽  
Daniel Curulla Ferré ◽  
J. W. (Hans) Niemantsverdriet
Keyword(s):  
Transition Metals ◽  
Metals And Alloys ◽  
Scaling Relations ◽  
Body Centered Cubic ◽  
Adsorption And Dissociation

Anomalous white line ratios and spin pairing in 3d transition metals and alloys: Cr metal and Cr20Au80

1986 ◽  
Vol 114 (8-9) ◽  
pp. 491-494 ◽  
Author(s):  
D.M. Pease ◽  
S.D. Bader ◽  
M.B. Brodsky ◽  
J.I. Budnick ◽  
T.I. Morrison ◽  
...  
Keyword(s):  
Transition Metals ◽  
Metals And Alloys ◽  
White Line ◽  
Spin Pairing

Study of the Mechanical Behavior of BCC Transition Metals Using Bond-Order Potentials

1999 ◽  
Vol 578 ◽  
Author(s):  
M. Mrovec ◽  
V. Vitek ◽  
D. Nguyen-Manh ◽  
D. G. Pettifor ◽  
L. G. Wang ◽  
...  
Keyword(s):  
Transition Metals ◽  
Bond Order ◽  
Tight Binding ◽  
Dislocation Core ◽  
Body Centered Cubic ◽  
Alternative Structures ◽  
The Core ◽  
Deformation Properties ◽  
Directional Bonding ◽  
Bond Order Potentials

AbstractDeformation properties of body-centered-cubic transition metals are controlled by the core structure of screw dislocations and their studies involve extensive computer simulations. In this paper we present the recently constructed bond-order potentials (BOP) that are based on the realspace parametrized tight-binding method. In order to examine the applicability of the potentials we have evaluated the energy differences of alternative structures, investigated several transformation paths leading to large distortions and calculated phonon dispersions. Using these potentials we have calculated γ-surfaces that relate to the dislocation core structures and discuss then the importance of directional bonding in studies of dislocations in transition metals.

NMR of Non-Transition Impurities in Transition Metals and Alloys

1974 ◽  
Vol 37 (1) ◽  
pp. 73-76 ◽  
Author(s):  
Naoki Yokoyama ◽  
Yoshihiro Yamada ◽  
Shohtaro Kohzuki ◽  
Kunisuke Asayama
Keyword(s):  
Transition Metals ◽  
Metals And Alloys

Tight-binding potentials for transition metals and alloys

1993 ◽  
Vol 48 (1) ◽  
pp. 22-33 ◽  
Author(s):  
Fabrizio Cleri ◽  
Vittorio Rosato
Keyword(s):  
Transition Metals ◽  
Tight Binding ◽  
Metals And Alloys

Parameter Representation of Low-Temperature Yield Behavior of Body-Centered Cubic Transition Metals

1966 ◽  
Vol 88 (2) ◽  
pp. 518-524 ◽  
Author(s):  
P. E. Bennett ◽  
G. M. Sinclair
Keyword(s):  
Low Temperature ◽  
Transition Metals ◽  
Brittle Fracture ◽  
Yield Strength ◽  
Strain Rate ◽  
Body Centered Cubic ◽  
Yield Behavior ◽  
Bcc Metals ◽  
State Of Stress ◽  
Iron Chromium

In the low-temperature range, the engineering yield strength of polycrystalline bcc metals can change by a factor of 10 or more with serious consequences appearing in the form of catastrophic brittle fracture. Engineering variables known to have an important effect on the yield behavior are state of stress, temperature, loading or strain rate, composition, and microstructure. For iron, chromium, molybdenum, and tungsten, it is shown that yield behavior can be represented by a single-valued relation between two dimensionless parameters.

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