Mass-zero constrained molecular dynamics for electrode charges in simulations of electrochemical systems
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We present an ab initio study of the spin-resolved optical conductivity of two-dimensional (2D) group-VIB transition-metal dichalcogenides (TMDs). We carry out fully relativistic density-functional-theory calculations combined with maximally localized Wann ...
We investigate the properties of electronic states and optical transitions in hexagonal GaAs quantum dots within Al0.3Ga0.7As nanowires, grown in axial direction [111]. Such dots are particularly interesting due to their high degree of symmetry. A streamli ...
Typical operating conditions for mobile sensor systems, and in particular mobile robots, exhibit a wide range of mechanical disturbances due their ego-motion. Sensor systems mounted on these mobile platforms often suffer to varying degrees from these distu ...
Model-based mono-planar and bi-planar 3D fluoroscopy methods can quantify intact joints kinematics with performance/cost trade-off. The aim of this study was to compare the performances of mono- and bi-planar setups to a marker-based gold-standard, during ...
Merge and divert. (±)-goniomitine was synthesized featuring two key steps: a) fragment coupling to functionalized cyclopentene by a novel palladium-catalyzed decarboxylative vinylation reaction and b) an unprecedented one-pot integrated oxidation/reduction ...
Over the last two decades, urban planning has been reapplied in several European countries: common tendencies that underline the reform of planning procedures are the generalization of sustainable development and the reorganization of local government. Bri ...
Critical infrastructures are receiving a great deal of attention, due, on the one hand, to the major malfunctions to which they are subject and their potential as targets of malicious intent on the other. Economic and political impacts are studied; increas ...
We investigate the structural properties of liquid water at near ambient conditions using first-principles molecular dynamics simulations based on a semilocal density functional augmented with nonlocal van der Waals interactions. The adopted scheme offers ...
Micro/nano robots have the potential to revolutionize many aspects of medicine. These untethered, wirelessly controlled and powered devices will make existing therapeutic and diagnostic procedures less invasive and will enable new procedures never before p ...
IEEE2012
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Civil engineering projects typically involve a number of design phases, such as preliminary design, tender design and executive design. The required degree of accuracy for the analysis of the behaviour and strength of the structural members increases as a ...
