1,177 research outputs found
Are there stable long-range ordered Fe(1-x)Cr(x) compounds?
The heat of formation of Fe-Cr alloys undergoes an anomalous change of sign
at small Cr concentrations. This observation raises the question whether there
are intermetallic phases present in this composition range. Here we report the
discovery of several long-range ordered structures that represent ground state
phases at zero Kelvin. In particular we have identified a structure at 3.7% Cr
with an embedding energy which is 49 meV/Cr atom below the solid solution. This
implies there is an effective long-range attractive interaction between Cr
atoms. We propose that the structures found in this study complete the low
temperature-low Cr region of the phase diagram.Comment: 3 pages, 2 figure
The Effect of Electronic Structure on the Phases Present in High Entropy Alloys
Multicomponent systems, termed High Entropy Alloys (HEAs), with predominantly single solid solution phases are a current area of focus in alloy development. Although different empirical rules have been introduced to understand phase formation and determine what the dominant phases may be in these systems, experimental investigation has revealed that in many cases their structure is not a single solid solution phase, and that the rules may not accurately distinguish the stability of the phase boundaries. Here, a combined modelling and experimental approach that looks into the electronic structure is proposed to improve accuracy of the predictions of the majority phase. To do this, the Rigid Band model is generalised for magnetic systems in prediction of the majority phase most likely to be found. Good agreement is found when the predictions are confronted with data from experiments, including a new magnetic HEA system (CoFeNiV). This also includes predicting the structural transition with varying levels of constituent elements, as a function of the valence electron concentration, n, obtained from the integrated spin-polarised density of states. This method is suitable as a new predictive technique to identify compositions for further screening, in particular for magnetic HEAs
ΠΠ½ΠΎΡΠ·ΡΡΠ½Π°Ρ ΠΊΠΎΠΌΠΌΡΠ½ΠΈΠΊΠ°ΡΠΈΠ²Π½Π°Ρ ΠΊΠΎΠΌΠΏΠ΅ΡΠ΅Π½ΡΠΈΡ ΡΠΎΠ²ΡΠ΅ΠΌΠ΅Π½Π½ΠΎΠ³ΠΎ ΠΏΡΠ΅ΠΏΠΎΠ΄Π°Π²Π°ΡΠ΅Π»Ρ ΡΠ΅Ρ Π½ΠΈΡΠ΅ΡΠΊΠΎΠ³ΠΎ Π²ΡΠ·Π°
Π ΡΡΠ°ΡΡΠ΅ ΡΠ°ΡΡΠΌΠ°ΡΡΠΈΠ²Π°ΡΡΡΡ ΠΎΡΠ³Π°Π½ΠΈΠ·Π°ΡΠΈΠΎΠ½Π½ΠΎ-ΠΏΠ΅Π΄Π°Π³ΠΎΠ³ΠΈΡΠ΅ΡΠΊΠΈΠ΅ ΠΈ ΠΌΠ΅ΡΠΎΠ΄ΠΈΡΠ΅ΡΠΊΠΈΠ΅ ΡΡΠ»ΠΎΠ²ΠΈΡ ΡΠΎΡΠΌΠΈΡΠΎΠ²Π°Π½ΠΈΡ ΠΈΠ½ΠΎΡΠ·ΡΡΠ½ΠΎΠΉ ΠΊΠΎΠΌΠΌΡΠ½ΠΈΠΊΠ°ΡΠΈΠ²Π½ΠΎΠΉ ΠΊΠΎΠΌΠΏΠ΅ΡΠ΅Π½ΡΠΈΠΈ ΠΏΡΠ΅ΠΏΠΎΠ΄Π°Π²Π°ΡΠ΅Π»Ρ ΡΠ΅Ρ
Π½ΠΈΡΠ΅ΡΠΊΠΎΠ³ΠΎ Π²ΡΠ·Π° Π½Π° ΠΏΡΠΈΠΌΠ΅ΡΠ΅ ΡΠ΅Π°Π»ΠΈΠ·Π°ΡΠΈΠΈ ΠΏΡΠΎΠ³ΡΠ°ΠΌΠΌΡ ΠΏΠΎΠ²ΡΡΠ΅Π½ΠΈΡ ΠΊΠ²Π°Π»ΠΈΡΠΈΠΊΠ°ΡΠΈΠΈ "Π€ΠΎΡΠΌΠΈΡΠΎΠ²Π°Π½ΠΈΠ΅ ΠΏΡΠΎΡΠ΅ΡΡΠΈΠΎΠ½Π°Π»ΡΠ½ΠΎΠΉ Π΄ΠΈΠ΄Π°ΠΊΡΠΈΡΠ΅ΡΠΊΠΎΠΉ ΠΊΠΎΠΌΠΏΠ΅ΡΠ΅Π½ΡΠΈΠΈ ΡΡΠ΅Π΄ΡΡΠ²Π°ΠΌΠΈ Π°Π½Π³Π»ΠΈΠΉΡΠΊΠΎΠ³ΠΎ ΡΠ·ΡΠΊΠ°". ΠΠ½ΠΎΡΡΡΠ°Π½Π½ΡΠΉ ΡΠ·ΡΠΊ ΡΡΠ°Π½ΠΎΠ²ΠΈΡΡΡ ΠΈΠ½ΡΡΡΡΠΌΠ΅Π½ΡΠΎΠΌ Π΄Π»Ρ Π²ΡΠΏΠΎΠ»Π½Π΅Π½ΠΈΡ ΠΏΡΠΎΡΠ΅ΡΡΠΈΠΎΠ½Π°Π»ΡΠ½ΠΎΠΉ Π΄Π΅ΡΡΠ΅Π»ΡΠ½ΠΎΡΡΠΈ ΡΠΎΠ²ΡΠ΅ΠΌΠ΅Π½Π½ΠΎΠ³ΠΎ ΠΏΡΠ΅ΠΏΠΎΠ΄Π°Π²Π°ΡΠ΅Π»Ρ ΡΠ΅Ρ
Π½ΠΈΡΠ΅ΡΠΊΠΎΠ³ΠΎ Π²ΡΠ·Π°
Bond-order potential for simulations of extended defects in tungsten
We present a bond-order potential (BOP) for the bcc transition metal tungsten. The bond-order potentials are a real-space semiempirical scheme for the description of interatomic interactions based on the tight-binding approximation. In the hierarchy of atomic-scale-modeling methods the BOPs thus provide a direct bridge between electronic-structure and atomistic techniques. Two variants of the BOP were constructed and extensively tested against accurate first-principles methods in order to assess the potentials\u27 reliability and applicability. A comparison of the BOP with a central-force potential is used to demonstrate that a correct description of directional mixed covalent and metallic bonds is crucial for a successful and fully transferable model. The potentials are applied in studies of low-index surfaces, symmetrical tilt grain boundaries, and dislocations
Seasonal dynamics of native and invasive Halophila stipulacea populationsβA case study from the northern Gulf of Aqaba and the eastern Mediterranean Sea
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Gamma ray production in inelastic scattering of neutrons produced by cosmic muons in Fe
We report on the study of the intensities of several gamma lines emitted
after the inelastic scattering of neutrons in Fe. Neutrons were produced
by cosmic muons passing the 20t massive iron cube placed at the Earth's surface
and used as a passive shield for the HPGe detector. Relative intensities of
detected gamma lines are compared with the results collected in the same iron
shield by the use of Cf neutrons. Assessment against the published data
from neutron scattering experiments at energies up to 14 MeV is also provided
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