The magnetic state of hexagonal close-packed iron has been the subject of debate for more than three decades. Although Mössbauer measurements find no evidence of the hyperfine splitting that can signal the presence of magnetic moments, density functional theory predicts an antiferromagnetic (afm) ground state. This discrepancy between theory and experiment is now particularly important because ...

A comparative study of non-coplanar binary dislocation junctions in magnesium (Mg) and beryllium (Be) is presented to examine the effects of elastic properties and active Burgers vectors on junction formation and destruction in hexagonal close-packed (hcp) crystals via discrete dislocation dynamics simulations. Two junction configurations formed at intersecting prismatic ð01 10Þ=basal ð0001Þ pl...

The solid phases at high pressure of atomistic systems with simple interaction models usually present close-packing structures. These structures are usually described in terms of stacking of close-packed triangular lattice layers with stacking sequences ABABAB for the hexagonal-close-packed hcp structure and ABCABC for the face-centered cubic fcc . The relative thermodynamic stability at given ...

The interfacial structure and phase diagram of a micellar solution formed by the three block copolymer (EO20-PO70-EO20) also known as P123 solved in deuterated water close to a solid boundary is investigated with respect to temperature. We find a hysteretic behavior of the d-spacing of the micellar crystal and a spontaneous change in the lateral correlation length going hand in hand with a stru...

The cluster representation matrices have already been successfully used to enumerate close-packed vacancy clusters in all single-lattice crystals [I, 2]. Point defect clusters in double-lattice crystals may have identical geometry but are distinct due to unique atomic postions enclosing them. The method of representation matrices is extended to make it applicable to represent and enumerate ...

H = S v i S v i + 1 ) y y corresponds to what is called the XY chain. The hexagonal compound PrCl3 provides a good approximation to the 1-D XY chain. The structure of PrCl3 is illustrated in Figure 1. Nearest neighbor Pr ions form chains along the hexagonal axis. Each Pr ion has nine close Cl neighbors which form three equilateral triangles; one triangle lies in the plane perpendicular to the h...

OF THESIS Submitted in Partial Fulfillment of the Requirements for the Degree of Master of Science Computer Science The University of New Mexico Albuquerque, New Mexico