Simulations of hydro-fracking in rock mass at meso-scale using fully coupled DEM/CFD approach

The paper deals with two-dimensional (2D) numerical modelling of hydro-fracking (hydraulic fracturing) in rocks at the meso-scale. A numerical model was developed to characterize the properties of fluid-driven fractures in rocks by combining the discrete element method (DEM) with computational fluid dynamics (CFD). The mechanical behaviour of the rock matrix was simulated with DEM and the behaviour of the fracturing fluid flow in newly developed and pre- existing fractures with CFD. The changes in the void geometry in the rock matrix were taken into account. The initial 2D hydro-fracking simulation tests were carried out for a rock segment under biaxial compression with one injection slot in order to validate the numerical model. The qualitative effect of several parameters on the propagation of a hydraulic fracture was studied: initial porosity of the rock matrix, dynamic viscosity of the fracking fluid, rock strength and pre- existing fracture. The characteristic features of a fractured rock mass due to a high-pressure injection of fluid were realistically modelled by the proposed coupled approach.

Electronic structure and rovibrational predissociation of the 2^1Π state in KLi

Adiabatic potential energy curves of the 3^1Σ^+, 3^3Σ^+, 2^1Π and 2^3Π states correlating for large internuclear distance with the K(4s) + Li(2p) atomic asymptote were calculated. Very good agreement between the calculated and the experimental curve of the 2^1Π state allowed for a reliable description of the dissociation process through a small (∼20 cm−1 for J = 0) potential energy barrier. The barrier supports several rovibrational quasi-bound states and explicit time evolution of these states via the time-dependent nuclear Schrödinger equation, showed that the state populations decay exponentially in time. We were able to precisely describe the time-dependent dissociation process of several rovibrational levels and found that our calculated spectrum matches very well with the assigned experimental spectrum. Moreover, our approach is able to predict the positions of previously unassigned lines, particularly in the case of their low intensity.

Potential energy surfaces of the low-lying electronic states of the Li+LiCs system

Ab initio quantum chemistry calculations are performed for the mixed alkali triatomic system. Global minima of the ground and first excited doublet states of the trimer are found and Born-Oppenheimer potential energy surfaces of the Li atom interacting with the LiCs molecule were calculated for these states. The lithium atom is placed at various distances and bond angles from the lithium-caesium dimer. Three-body nonadditive forces of the Li_2Cs molecule in the global minimum are investigated. Dimer-atom interactions are found to be strongly attractive and may be important in the experiments, particularly involving cold alkali polar dimers.

Relationship between vortex structures and shear localization in 3D granular specimens based on combined DEM and Helmholtz-Hodge decomposition.

Relationship between vortex structures and shear localization in 3D granular specimens based on combined DEM and Helmholtz-Hodge decomposition. Granular Matter, doi:10.1007/s10035-018-0815-0, 2018.

Investigations of quasi-static vortex structures in 2D sand specimen under passive earth pressure conditions based on DEM and Helmholtz-Hodge vector field decomposition.

Artykuł przedstawia wyniki obliczeń quasi-statycznych struktur wirowych w 2-wymiarowej próbce piasku w warunkach pasywnego parcia gruntu. Zastosowano metodę elementów dyskretnych i dekompozycję Helmholtza-Hodge’a pola wektorowego. Stwierdzono bliską zależność między wirami a miejscem powstania strefy lokalizacji odkształceń stycznych.

INVESTIGATIONS OF QUASI-STATIC VORTEX-STRUCTURES IN 3D SAND SPECIMENS BASED ON DEM AND HELMHOLTZ-HODGE VECTOR FIELD DECOMPOSITION.

Artykuł omawia wyniki numeryczne dotyczące struktur wirowych w materiałach granulowanych w warunkach 3D. Obliczenia wykonano dla ściskania dwuosiowego. W symulacjach wykorzystano metodę elementów dyskretnych i dekompozycję pola wektorowego wg Helmholtza-Hodge’a Struktury wirowe okazały się znakomitym prekursorem lokalizacji odkształceń stycznych w materiałach granulowanych podczas obciążenia.

Investigations of vortex-structures in granular bodies based on DEM and Helmholtz-Hodge flow field decomposition

Artykuł omawia wyniki numeryczne dotyczące struktur wirowych w materiałach granulowanych. Obliczenia wykonano dla stanu pasywnego przemieszczającej się sztywnej ścianki. W symulacjach wykorzystano metodę elementów dyskretnych i dekompozycję Helmholtza/Hodge’a pola prędkości. Struktury wirowe okazały się znakomitym prekursorem lokalizacji odkształceń stycznych w materiałach granulowanych.

DEM investigations of two-dimensional granular vortex- and anti-vortex- structures during plane strain compression.

DEM investigations of two-dimensional granular vortex- and anti-vortex- structures during plane strain compression.

DEM analysis of micro-structural events within granular shear zones under passive earth pressure conditions

W artykule omówiono wyniki obliczeń numerycznych dla pasku dla stanu pasywnego sztywnej ścianki podczas jej translacji stosując metodę elementów dyskretnych. Analizowano głównie zjawiska mikrostrukturalne w strefach ścinania podczas translacji sztywnej ścianki. Szczególna uwagę zwrócono na pojawienie się wirów w materiale granulowanym.

Discrete Modelling of Micro-structural Phenomena in Granular Shear Zones

The micro-structure evolution in shear zones in cohesionless sand for quasi-static problems was analyzed with a discrete element method (DEM). The passive sand failure for a very rought retaining wall undergoing horizontal translation towards the sand backfill was discussed. To simulate the behaviour of sand, the spherical discrete element model was used with elements in the form of rigid spheres with contacts moments.