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A simple predictive molecular thermodynamic model for bulk phases and interfaces is presented. The model combines features of the quantitative structure-property relationships (QSPR) approach, the equation-of-state approach, and quantum-chemical calculatio ...
Bicycle-sharing systems stations are often imbalanced. Stations are said to be in excess when there is no empty dock for users willing to deposit their bicycle. Conversely, stations aresaidtobeinshortagewhenthereisnoavailablebicycle. Rebalancingcanbeachiev ...
The invention discloses a system (1) and method to guide light through a scattering medium (4) and project images on a screen (5) placed after the medium (4). Many of the shortcomings of previous approaches for guiding light through scattering medium (4) h ...
Water activity and related thermodynamic properties are calculated for several aqueous solutions using equilibrium molecular dynamics in conjunction with the recent extension of the Kirkwood-Buff (KB) theory for closed systems. The general applicability of ...
This article addresses the problem of designing a sensor fault-tolerant controller for an observation process where a primary, controlled system observes, through a set of measurements, an exogenous system to estimate the state of this system. We consider ...
The rhythmic and sequential segmentation of the vertebrate body axis into somites during embryogenesis is governed by a multicellular, oscillatory patterning system called the segmentation clock. Despite many overt similarities between vertebrates, differe ...
Energy-related engineering applications involving shales pose ever-increasing challenges for the constitutive modelling of these geomaterials. The present work proposes a new definition of effective stress developed by using a thermodynamic approach associ ...
Thermodynamic properties of liquid water as well as hexagonal (Ih) and cubic (Ic) ice are predicted based on density functional theory at the hybrid-functional level, rigorously taking into account quantum nuclear motion, anharmonic fluctuations, and proto ...
We present thermodynamic and neutron-scattering measurements on the quantum spin ice candidate Nd2Zr2O7. The parametrization of the anisotropic exchange Hamiltonian is refined based on high-energyresolution inelastic neutron-scattering data together with t ...
Thermodynamic observables of mesoscopic systems can be expressed as integrated empirical currents. Their fluctuations are bound by thermodynamic uncertainty relations. We introduce the hyperaccurate current as the integrated empirical current with the leas ...