1,177 research outputs found

    Are there stable long-range ordered Fe(1-x)Cr(x) compounds?

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    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

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    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

    Π˜Π½ΠΎΡΠ·Ρ‹Ρ‡Π½Π°Ρ коммуникативная компСтСнция соврСмСнного прСподаватСля тСхничСского Π²ΡƒΠ·Π°

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    Π’ ΡΡ‚Π°Ρ‚ΡŒΠ΅ Ρ€Π°ΡΡΠΌΠ°Ρ‚Ρ€ΠΈΠ²Π°ΡŽΡ‚ΡΡ ΠΎΡ€Π³Π°Π½ΠΈΠ·Π°Ρ†ΠΈΠΎΠ½Π½ΠΎ-пСдагогичСскиС ΠΈ мСтодичСскиС условия формирования иноязычной ΠΊΠΎΠΌΠΌΡƒΠ½ΠΈΠΊΠ°Ρ‚ΠΈΠ²Π½ΠΎΠΉ ΠΊΠΎΠΌΠΏΠ΅Ρ‚Π΅Π½Ρ†ΠΈΠΈ прСподаватСля тСхничСского Π²ΡƒΠ·Π° Π½Π° ΠΏΡ€ΠΈΠΌΠ΅Ρ€Π΅ Ρ€Π΅Π°Π»ΠΈΠ·Π°Ρ†ΠΈΠΈ ΠΏΡ€ΠΎΠ³Ρ€Π°ΠΌΠΌΡ‹ ΠΏΠΎΠ²Ρ‹ΡˆΠ΅Π½ΠΈΡ ΠΊΠ²Π°Π»ΠΈΡ„ΠΈΠΊΠ°Ρ†ΠΈΠΈ "Π€ΠΎΡ€ΠΌΠΈΡ€ΠΎΠ²Π°Π½ΠΈΠ΅ ΠΏΡ€ΠΎΡ„Π΅ΡΡΠΈΠΎΠ½Π°Π»ΡŒΠ½ΠΎΠΉ дидактичСской ΠΊΠΎΠΌΠΏΠ΅Ρ‚Π΅Π½Ρ†ΠΈΠΈ срСдствами английского языка". Π˜Π½ΠΎΡΡ‚Ρ€Π°Π½Π½Ρ‹ΠΉ язык становится инструмСнтом для выполнСния ΠΏΡ€ΠΎΡ„Π΅ΡΡΠΈΠΎΠ½Π°Π»ΡŒΠ½ΠΎΠΉ Π΄Π΅ΡΡ‚Π΅Π»ΡŒΠ½ΠΎΡΡ‚ΠΈ соврСмСнного прСподаватСля тСхничСского Π²ΡƒΠ·Π°

    Bond-order potential for simulations of extended defects in tungsten

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    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

    Gamma ray production in inelastic scattering of neutrons produced by cosmic muons in 56^{56}Fe

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    We report on the study of the intensities of several gamma lines emitted after the inelastic scattering of neutrons in 56^{56}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 252^{252}Cf neutrons. Assessment against the published data from neutron scattering experiments at energies up to 14 MeV is also provided
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