[PDF] Top 20 Density functional study of copper segregation in aluminum
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Density functional study of copper segregation in aluminum
... 4. Copper surface segregation As discussed in the Introduction , it is experimentally [8–10] and theoretically [15,82,83] well established that increasing Cu concen- tration in the α phase ... Voir le document complet
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Density functional study of copper segregation in aluminum
... Density functional calculations Surface alloys Surface energy The structural and electronic properties of Cu segregation in aluminum are studied in the framework of ... Voir le document complet
12
Density functional theoretical study of Cun, Aln (n = 4-31) and copper doped aluminum clusters: Electronic properties and reactivity with atomic oxygen
... the study of the bimetal- lic systems and their reactivity against ...structure of the Cu n and Al n (n = 4–31) clusters are shown in ...ters in their most stable spin state are given ... Voir le document complet
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Density functional theoretical study of Cun, Aln (n = 4–31) and copper doped aluminum clusters: Electronic properties and reactivity with atomic oxygen
... Copper-containing aluminum alloys such as 2024 alloy are often used in aerospace applications; thus, there is sig- nificant interest in their corrosion behaviour in aerated ...alloys ... Voir le document complet
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Periodic density functional study of Rh and Pd interaction with the (100)MgO surface
... properties of deposited metal atoms on MgO surfaces with im- posed periodic boundary conditions [11–20] ...sites of the (10 0)MgO surface undergo significant relaxation in contrast to the regular ... Voir le document complet
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Conformational Pathways of Saturated Six-Membered Rings. A Static and Dynamical Density Functional Study
... modifications of glucose rings. However, many of these calculations are based on force fields unsuitable to predict correctly the conformational potential surface of ...found, in vacuo, that ... Voir le document complet
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Picosecond Short-Range Disordering in Isochorically Heated Aluminum at Solid Density
... However, in the radial dimen- sion (axis r) heating is not uniform over the 170 m probed ...radius of the heated surface is limited by the maximum divergence angle of the proton beam and is ... Voir le document complet
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6,000 years of copper smelting : Center for the Study of Copper Smelting in Ancient Societies
... The Timna Valley is one of the most signif- icant sites discovered and is believed to be the first site of copper pro- duction, beginning six-thousand years ago.. Within this [r] ... Voir le document complet
97
Hot tearing of aluminum-copper B206 alloys with iron and silicon additions
... calculation of solidification paths, which depend almost exclusively on the composition of the alloy, back diffusion having only a minor effect on the results at the applied cooling ...variations of ... Voir le document complet
19
Scalar nature of the nuclear density functional
... energies, in a most simplified, one-dimensional theory. A major problem of nuclear physics is the prediction of exotic ...is of a special interest for the study of the neutron ... Voir le document complet
5
Phases of Polonium via Density Functional Theory
... instead of increasing ...properties in Ref. [10]. The result is quite clear in the phonon bands of ...decrease in different regions of the Brillouin Zone, but also present KA ... Voir le document complet
5
Parallel eigensolvers in plane-wave Density Functional Theory
... now study more precisely the parallel scalability of our algorithms on a cristal of 512 atoms of Titanium, with a total of 4096 ...time of a single ...speedups of Figure 8 ... Voir le document complet
21
Aluminum substitution in quartz, a study in geothermometry
... The quartz studied was obtained from aluminous quartz- ites in the Kings Mountain area, North Carolina - South Carolina, which have been intruded by a granitic mass (the [r] ... Voir le document complet
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Basis convergence of range-separated density-functional theory
... Range-separated density-functional theory is an alternative approach to Kohn-Sham density- functional ...strategy of range-separated density-functional theory consists ... Voir le document complet
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Existence of a density functional for an intrinsic state
... particle density which has been used for the foundation of DF theory mainly concerns eigen- states of the physical Hamiltonian, in principle at least, while the energy density, used for ... Voir le document complet
5
Fabrication of Superhydrophobic Surfaces on Aluminum Alloy Via Electrodeposition of Copper Followed by Electrochemical Modification
... on copper microdots coated alu- minum substrates are very similar to those obtained from the electrochemically modified pure copper sur- faces reported previously by us ...the copper micro-dots and ... Voir le document complet
7
Dynamic wetting and heat transfer at the initiation of aluminum solidification on copper substrates
... Effect of initial substrate temperature Trials with initial substrate temperatures of 80, 175 and 275 °C were carried ...surfaces of the substrates at 80 and 175 °C retained their shinny luster but ... Voir le document complet
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The Tensor Part of the Skyrme Energy Density Functional
... systematically study the effect of the J 2 tensor terms in the Skyrme energy functional on properties of spherical ...set of 36 parameterizations covering a wide range of ... Voir le document complet
5
Comparative study of structural aluminum and steel
... radius of gyration about x axis radius of gyration about y axis moment of inertia about x axis momnt of inertia about y axis plate.. torsion bending constant.[r] ... Voir le document complet
122
Functional segregation and integration within fronto-parietal networks
... this segregation, a principal component analysis was carried out on the meta-analytic maps ( ...70% of the total variance of the fronto-parietal ...One of these components included saccades, ... Voir le document complet
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