A critical assessment of interatomic potentials for modelling lattice defects in forsterite Mg$$_2$$SiO$$_4$$ from 0 to 12 GPa

Five different interatomic potentials designed for modelling forsterite Mg$$_2$$ 2 SiO$$_4$$ 4 are compared to ab initio and experimental data. The set of tested properties include lattice constants, material density, elastic wave velocity, elastic stiffness tensor, free surface energies, generalized stacking faults, neutral Frenkel and Schottky defects, in the pressure range $$0-12$$ 0 - 12 GPa relevant to the Earth’s upper mantle. We conclude that all interatomic potentials are reliable and applicable to the study of point defects. Stacking faults are correctly described by the THB1 potential, and qualitatively by the Pedone2006 potential. Other rigid-ion potentials give a poor account of stacking fault energies, and should not be used to model planar defects or dislocations. These results constitute a database on the transferability of rigid-ion potentials, and provide strong physical ground for simulating diffusion, dislocations, or grain boundaries.

Detection of Planar Defects in Multilayered GFRP Composite Structures Using Low-Field Nuclear Magnetic Resonance

Adhesively bonded interfaces of glass fiber– reinforced plastics (GFRP) composite to rubber and rubber to propellant were investigated for planar interfacial defects with a spatial resolution of 100 μm. Single-sided low-field nuclear magnetic resonance (NMR) with a magnetic field strength of 0.3 T (12.88 MHz proton frequency) has been used for noninvasive inspection of planar defects in GFRP-based multilayered composite structures. Further, in this paper, the application of low-field NMR for adhesive liner thickness measurement is also demonstrated. The investigation revealed applicability of single-sided low-field NMR for onsite field applications. Results were compared with other nondestructive evaluation (NDE) techniques: acousto-ultrasonic and radiographic testing (RT). It is observed that single-sided low-field NMR is an excellent NDE tool to study adhesive bonds and defects such as debonding, variations in thickness to accuracies ranging from 50 to 200 μm, and degradation. In comparison with the acousto-ultrasonic technique and RT, single-sided low-field NMR is observed to be more sensitive.

Precipitate Shearing, Fault Energies, and Solute Segregation to Planar Faults in Ni-, CoNi-, and Co-Base Superalloys

The mechanical properties of superalloys are strongly governed by the resistance to shearing of ordered precipitates by dislocations. In the operating environments of superalloys, the stresses and temperatures present during thermomechanical loading influence the dislocation shearing dynamics, which involve diffusion and segregation processes that result in a diverse array of planar defects in the ordered L12 γ′ precipitate phase. This review discusses the current understanding of high-temperature deformation mechanisms of γ′ precipitates in two-phase Ni-, Co-, and CoNi-base superalloys. The sensitivity of planar fault energies to chemical composition results in a variety of unique deformation mechanisms, and methods to determine fault energies are therefore reviewed. The degree of chemical segregation in the vicinity of planar defects reveals an apparent phase transformation within the parent γ′ phase. The kinetics of segregation to linear and planar defects play a significant role in high-temperature properties. Understanding and controlling fault energies and the associated dislocation dynamics provide a new pathway for the design of superalloys with exceptional properties.