RESUMEN
An unjustified simplification of the local quantitative criterion regarding cleavage nucleation is a key problem in the utilisation of the Local Approach to Fracture (LA), particularly to predict the fracture toughness within the ductile-to-brittle transition (DBT) region. The theoretical concept of the effect of both temperature and the plastic strain value on the crack nuclei (CN) generation rate in iron and ferritic steels is presented. It is shown how the plastic strain and temperature affect CN formation rate and, as a consequence, govern the shape of the temperature dependence of fracture toughness KJc and its scatter limits. Within the framework of the microscopic model proposed, dependences of the CN bulk density on the plastic deformation value and temperature are predicted. Convenient approximation dependences for incorporating this effect into the LA are suggested. The experimental data of reactor pressure vessel steel and cast manganese steel demonstrate that the use of these dependences enables one to predict, with sufficient accuracy, the effect of temperature on the value of fracture toughness and its scatter limits over the DBT region. It is shown that accounting for both the temperature and strain dependence of CN bulk density gives rise to the invariance of parameters of the Weibull distribution to temperature.
RESUMEN
The strength of Mo nanorods was measured under uniaxial tension. Tensile tests of ã 110ã-oriented single-crystalline molybdenum rod-shaped specimens with diameters from 25 to 90 nm at the apex were conducted inside a field-ion microscope (FIM). The nanocrystals were free from dislocations, planar defects and microcracks, and exhibited the plastic mode of failure under uniaxial tension with the formation of a chisel-edge tip by multiple gliding in the [Formula: see text] and [Formula: see text] deformation systems. The experimental values of tensile strength vary between 6.3 and 19.8 GPa and show a decrease with increasing nanorod diameter. A molecular dynamic simulation of Mo nanorod tension also suggests that the strength decreases from 28.8 to 21.0 GPa when the rod diameter increases from 3.1 to 15.7 nm. The maximum values of experimental strength are thought to correspond to the inherent strength of Mo nanocrystals under uniaxial tension (19.8 GPa, or 7.5% of Young's modulus).
RESUMEN
An approach is developed to predict stability of carbyne-based nanodevices. Within this approach, the thermo-fluctuation model of instability and break of contact bond in nanodevices, containing carbyne chains and graphene sheets, is offered. Unlike the conventional models, it does not include empirical constants. The results of DFT calculations are used as initial data for this model. Possibility of synergistic effect of temperature and mechanical load on stability and value of service time of carbyne-based nanodevices is predicted. It is ascertained, that this synergism results in a significant (by many orders of magnitude) decrease in the lifetime of nanodevices containing carbyne chains. The atomic mechanism of this phenomenon is outlined. Conditions of thermo-force loading are predicted at which a service time of these devices is sufficient for applications.
RESUMEN
On the basis of ab initio simulations, the value of strength of interatomic bonds in one-, two- and three-dimensional carbon crystals is obtained. It is shown that decreasing in dimensionality of crystal gives rise to nearly linear increase in strength of atomic bonds. It is ascertained that growth of strength of the crystal with a decrease in its dimensionality is due to both a reduction in coordination number of atom and increase in the angle between the directions of atomic bonds. Based on these data, it is substantiated that the one-dimensional (1D) crystals have maximum strength, and strength of carbyne is the absolute upper limit of strength of materials.
RESUMEN
The results of the high-field technique for obtaining and testing the carbyne strength in situ are presented. By using molecular dynamics simulation and ab initio calculations, a comprehensive analysis of the results is executed. High-field technique for experimental measurement of the carbyne strength in situ is briefly described. It is shown that the technique used gives a lower estimation for strength of carbyne, which equals 251 GPa at T = 77 K. This value is close to the strength 7.85 nN (250 GPa) of contact atomic bond between carbyne and graphene sheet, from which the monatomic chain is pulled. The strength of carbyne itself is determined by strength of an edge atomic bond and it is ≈ 12.35 nN (393 GPa) at T = 0 K. For carbynes containing more than 10 to 12 atoms, the coefficient of elasticity (k Y = 145.40 nN) and the elastic modulus (Y = 4631 GPa) are ascertain.