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Mutually polarizable QM/MM model with in situ optimized localized basis functions
PublicationWe 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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Microcracking monitoring and damage detection of graphene nanoplatelets-cement composites based on acoustic emission technology
PublicationThis study aims to identify the micro-cracking pattern and structural applications of cement composites replaced with 0 wt%, 0.04 wt%, and 0.08 wt% contents of graphene nanoplatelets (GNPs) over cement weight through acoustic emission (AE) monitoring under mechanical degradation. The ultraviolet-visible spectroscopy (UV–vis) results showed that at 60 min sonication period, GNP-4 showed maximum absorbance rate of 16.15% compared...
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Simulation of the response of base-isolated buildings under earthquake excitations considering soil flexibility
PublicationThe 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
PublicationThe 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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THE VIBRATION BASED DIAGNOSTICS OF SHIP PROPULSION SYSTEMS
PublicationThe 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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Load Testing of GFRP Composite U-Shape Footbridge
PublicationThe 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
PublicationWhen 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...