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UKAEA-CCFE-PR(25)3122021
The development of quantitative models for understanding physical properties of alloys requires a proper treatment of magnetic interactions, which is of paramount importance for the microstructural stability, especially in steels and high-entropy alloys containing magnetic elements. These magnetic interactions also control the defects behavior whic…
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UKAEA-CCFE-PR(23)922021
W-Cr-Y smart alloys are potential material candidates for plasma facing components due to their protective behaviour during the loss-of-coolant accident (LOCA), while maintaining beneficial properties of W during the normal operation of the fusion power plant. During plasma exposure the lighter alloying elements are preferentially sputtered at t…
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UKAEA-CCFE-PR(22)202021
In this work, the Universal Equation of States (UES) is revisited and generalised by including ferromagnetic and antiferromagnetic configurations. The energy of a system is calculated by means of three parameters, namely, the energy, volume and corresponding scaling volume (directly related to the bulk modulus) at the local ground state of the corr…
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UKAEA-CCFE-PR(20)1062020
The development of High-Entropy Alloys (HEAs) focuses on exploring compositional regions in multicomponent systems with all alloy elements in equal or near-equal atomic concentrations. Initially it was based on the main idea that high mixing configurational entropy contributions to the alloy free energy could promote the formation of a single so…
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UKAEA-CCFE-PR(20)792020
Point defects in body-centred cubic Fe, Cr and concentrated random magnetic Fe-Cr are investigated using density functional theory and theory of elasticity. The volume of a substitutional Cr atom in ferromagnetic bcc Fe is approximately 18% larger than the volume of a host Fe atom, whereas the volume of a substitutional Fe atom in antiferromagnetic…
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UKAEA-CCFE-PR(20)782020
During an accident with loss-of-coolant and air ingress in DEMO, the temperature of tungsten first wall cladding may exceed 1000oC and remain for months leading to tungsten oxidation. The radioactive tungsten oxide can be mobilized to the environment at rates of 10 – 150 kg per hour. Smart tungsten-based alloys are under develop…
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UKAEA-CCFE-PR(19)382019
Multi-component alloy Fe-Cr-Mn-Ni is a promising new candidate system not only because of its potential application as structural materials beyond conventional austenitic steels but also for fundamental physics role played by Mn element in Fe-Cr-Ni based alloys. In this work, the phase stability of magnetic face-centered cubic (fcc) Fe-Cr-Mn-Ni sys…
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CCFE-PR(17)552017
High Entropy Alloys (HEAs) is a fascinating field of research, with an increasing number of new alloys discovered. This would hardly be conceivable without the aid of materials modeling and the computational alloy design to investigate the immense compositional space. The simplicity of the microstructure achieved contrasts with the enormous complex…
Showing 11 - 18 of 18 UKAEA Paper Results