Antiphase Boundary Energy Determination in Superlattices Based on the BCC Lattice Using the Cluster Variation Method

Autor(es)

Schon, Claudio Geraldo ^[1] ; Kikuchi, Ryoichi ^[2]

Afiliação do(s) autor(es)

^[1] Univ Sao Paulo, Escola Politecn, Sao Paulo - Brazil

^[2] Univ Calif Berkeley, Berkeley, CA 94720 - USA

• Tipo de documento: Artigo Científico
• Fonte: International Journal of Materials Research; v. 89, n. 12, p. 868-878, DEC 29 2021.
• Citações Web of Science: 0

Resumo

Energies of unrelaxed antiphase boundaries (APBs) right after they are formed are formulated and calculated for the B2 and D0(3) structures, using the numerical results of the (irregular) tetrahedron approximation of CVM, which takes into account the first and second neighbour interactions. Three cases, a(0) < 100 > (001), a(0) < 100 > (01 (1) over bar) and a(0)/2 < 1 (11) over bar > (01 (1) over bar) are treated. The numerical results obtained for the bcc Fe-Al system at 1000 K and 623 K show that the APB energies for the first two cases are negligibly small except for the stability region of the D0(3); phase at 623 K. Use of the tetrahedron approximation makes it possible to clearly reveal the effect of the short-range order. (AU)

• Processo FAPESP: 97/13761-5 - Distribuicao de intersticiais na austenita de ligas fe-c.
• Beneficiário: Claudio Geraldo Schon
• Modalidade de apoio: Bolsas no Brasil - Pós-Doutorado