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Mutually polarizable QM/MM model with in situ optimized localized basis functions
PublikacjaWe extend our recently developed quantum-mechanical/molecular mechanics (QM/MM) approach [Dziedzic et al., J. Chem. Phys. 145, 124106 (2016)] to enable in situ optimization of the localized orbitals. The quantum subsystem is described with ONETEP linear-scaling density functional theory and the classical subsystem – with the AMOEBA polarizable force field. The two subsystems interact via multipolar electrostatics and are fully...
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THE VIBRATION BASED DIAGNOSTICS OF SHIP PROPULSION SYSTEMS
PublikacjaThe article has been worked out on the basis of the report devoted to the conducted diagnostic investigations of the ship main propulsion unit’s mechanical system. Gdansk University of Technology has been ordered with such investigations by the repair Shipyard carrying out the ship’s overhaul. Diagnostic tests involved measurements and analyses of the vibration signals generated in selected constructional kinematic pairs of the...
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Simulation of the response of base-isolated buildings under earthquake excitations considering soil flexibility
PublikacjaThe accurate analysis of the seismic response of isolated structures requires the incorporation of the flexibility of supporting soil. However, it is often customary to idealize the soil as rigid during the analysis of such structures. In the present paper, seismic response time history analyses of base-isolated buildings modelled as single degree-of-freedom (SDOF) and multi degree-of-freedom (MDOF) systems with linear and nonlinear...
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Impacts in case of triple unilaterally constrained system
PublikacjaThe this paper focus on the behaviour of a “rigid” body biting into another “rigid” body, with some nonzero relative velocity. In the presently considered case, the introduced collision appears between a selected element of a multibody structure and its reference body being interpreted as the motionless ground. Instead of the classic case, described in a number of dissertations, where a single impacting contact is considered, three...
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Load Testing of GFRP Composite U-Shape Footbridge
PublikacjaThe paper presents the scope of load tests carried out on an innovative shell composite footbridge. The tested footbridge was manufactured in one production cycle and has no components made from materials other than GFRP laminates and PET foam. The load tests, performed on a 14-m long structure, were the final stage of a research program in the Fobridge project carried out in cooperation with: Gdańsk University of Technology (leader),...
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Influence of intermixing at the Ta/CoFeB interface on spin Hall angle in Ta/CoFeB/MgO heterostructures
PublikacjaWhen a current is passed through a non-magnetic metal with strong spin-orbit coupling, an orthogonal spin current is generated. This spin current can be used to switch the magnetization of an adjacent ferromagnetic layer or drive its magnetization into continuous precession. The interface, which is not necessarily sharp, and the crystallographic structure of the nonmagnetic metal can both affect the strength of current-induced...