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The manipulation of microscopic objects requires precise and controllable forces and torques. Recent advances have led to the use of critical Casimir forces as a powerful tool, which can be finely tuned through the temperature of the environment and the chemical properties of the involved objects. For example, these forces have been used to self-organize ensembles of particles and to counteract stiction caused by Casimir-Liftshitz forces. However, until now, the potential of critical Casimir torques has been largely unexplored. Here, we demonstrate that critical Casimir torques can efficiently control the alignment of microscopic objects on nanopatterned substrates. We show experimentally and corroborate with theoretical calculations and Monte Carlo simulations that circular patterns on a substrate can stabilize the position and orientation of microscopic disks. By making the patterns elliptical, such microdisks can be subject to a torque which flips them upright while simultaneously allowing for more accurate control of the microdisk position. More complex patterns can selectively trap 2D-chiral particles and generate particle motion similar to non-equilibrium Brownian ratchets. These findings provide new opportunities for nanotechnological applications requiring precise positioning and orientation of microscopic objects. Recent advances in manipulating microscopic objects involve utilizing critical Casimir forces, controllable via temperature and chemical properties. By demonstrating the efficiency of critical Casimir torques, the authors enable precise alignment of microscopic objects on nanopatterned substrates.

Active matter comprises self-driven units, such as bacteria and synthetic microswimmers, that can spontaneously form complex patterns and assemble into functional microdevices. These processes are possible thanks to the out-of-equilibrium nature of active-matter systems, fueled by a one-way free-energy flow from the environment into the system. Here, we take the next step in the evolution of active matter by realizing a two-way coupling between active particles and their environment, where active particles act back on the environment giving rise to the formation of superstructures. In experiments and simulations we observe that, under light-illumination, colloidal particles and their near-critical environment create mutually-coupled co-evolving structures. These structures unify in the form of active superstructures featuring a droplet shape and a colloidal engine inducing self-propulsion. We call them active droploids—a portmanteau of droplet and colloids. Our results provide a pathway to create active superstructures through environmental feedback. Active matter can spontaneously form complex patterns and assemblies via a one-way energy flow from the environment into the system. Here, the authors demonstrate that a two-way coupling, where active particles act back on the environment can give rise to novel superstructures, named as active droploids.

Active particles break out of thermodynamic equilibrium thanks to their directed motion, which leads to complex and interesting behaviors in the presence of confining potentials. When dealing with active nanoparticles, however, the overwhelming presence of rotational diffusion hinders directed motion, leading to an increase of their effective temperature, but otherwise masking the effects of self-propulsion. Here, we demonstrate an experimental system where an active nanoparticle immersed in a critical solution and held in an optical harmonic potential features far-from-equilibrium behavior beyond an increase of its effective temperature. When increasing the laser power, we observe a cross-over from a Boltzmann distribution to a non-equilibrium state, where the particle performs fast orbital rotations about the beam axis. These findings are rationalized by solving the Fokker-Planck equation for the particle’s position and orientation in terms of a moment expansion. The proposed self-propulsion mechanism results from the particle’s non-sphericity and the lower critical point of the solution. For active particles with nanoscale dimensions the overwhelming rotational diffusivity usually masks their residual non-equilibrium character. Here Schmidt et al. show how to amplify it in a suitable experiment to let a nanosphere rotate spontaneously around the beam axis in an optical trap.

Lithium niobate (LiNbO3), a material frequently used in optical applications, hosts different kinds of polarons that significantly affect many of its physical properties. In this study, a variety of electron polarons, namely free, bound, and bipolarons, are analyzed using first-principles calculations. We perform a full structural optimization based on density-functional theory for selected intrinsic defects with special attention to the role of symmetry-breaking distortions that lower the total energy. The cations hosting the various polarons relax to a different degree, with a larger relaxation corresponding to a larger gap between the defect level and the conduction-band edge. The projected density of states reveals that the polaron states are formerly empty Nb 4d states lowered into the band gap. Optical absorption spectra are derived within the independent-particle approximation, corrected by the GW approximation that yields a wider band gap and by including excitonic effects within the Bethe–Salpeter equation. Comparing the calculated spectra with the density of states, we find that the defect peak observed in the optical absorption stems from transitions between the defect level and a continuum of empty Nb 4d states. Signatures of polarons are further analyzed in the reflectivity and other experimentally measurable optical coefficients.

Hole polarons and defect-bound exciton polarons in lithium niobate are investigated by means of density-functional theory, where the localization of the holes is achieved by applying the +U approach to the oxygen 2p orbitals. We find three principal configurations of hole polarons: (i) self-trapped holes localized at displaced regular oxygen atoms and (ii) two other configurations bound to a lithium vacancy either at a threefold coordinated oxygen atom above or at a two-fold coordinated oxygen atom below the defect. The latter is the most stable and is in excellent quantitative agreement with measured g factors from electron paramagnetic resonance. Due to the absence of mid-gap states, none of these hole polarons can explain the broad optical absorption centered between 2.5 and 2.8 eV that is observed in transient absorption spectroscopy, but such states appear if a free electron polaron is trapped at the same lithium vacancy as the bound hole polaron, resulting in an exciton polaron. The dielectric function calculated by solving the Bethe–Salpeter equation indeed yields an optical peak at 2.6 eV in agreement with the two-photon experiments. The coexistence of hole and exciton polarons, which are simultaneously created in optical excitations, thus satisfactorily explains the reported experimental data.

In the current energy context, intermittent and non-dispatchable renewable energy sources, such as wind and solar photovoltaic (generation does not necessarily correspond to demand), require flexible solutions to store energy. Energy storage systems (ESS) are able to balance the intermittent and volatile generation outputs of variable renewable energies (VRE). ESS provide ancillary services such as: frequency, primary and voltage control to the power grid. In order to fulfil the power system control, ESS can switch within seconds for different operation modes. Many times, ESS imply environment impacts on landscape and society. To solve this problem, disused underground spaces, such as closed mines, can be used as underground reservoir for energy storage plants. In this paper, a comparative analysis between underground pumped storage hydropower (UPSH), compressed air energy storage (CAES) and suspended weight gravity energy storage (SWGES) with suspended weights in abandoned mine shafts is carried out. Pumped storage hydropower (PSH) is the most mature concept and account for 99% of bulk storage capacity worldwide. The results obtained show that in UPSH and CAES plants, the amount of stored energy depends mainly on the underground reservoir capacity, while in SWGES plants depends on the depth of the mine shafts and the mass. The energy stored in a SWGES plant (3.81 MWh cycle -1 with 600 m of usable depth assuming 3,000 tonne suspended weight) is much lower than UPSH and CAES plants.

The European Union policy of encouraging renewable energy sources and a sustainable and safe low-carbon economy requires flexible energy storage systems (FESSs), such as pumped-storage hydropower (PSH) systems. Energy storage systems are the key to facilitate a high penetration of the renewable energy sources in the electrical grids. Disused mining structures in closed underground coal mines in NW Spain have been selected as a case study to analyze the construction of underground pumped-storage hydropower (UPSH) plants. Mine water, depth and subsurface space in closured coal mines may be used for the construction of FESSs with reduced environmental impacts. This paper analyzes the stability of a network of tunnels used as a lower water reservoir at 450 m depth in sandstone and shale formations. Empirical methods based on rock mass classification systems are employed to preliminarily design the support systems and to determinate the rock mass properties. In addition, 3D numerical modelling has been conducted in order to verify the stability of the underground excavations. The deformations and thickness of the excavation damage zones (EDZs) around the excavations have been evaluated in the simulations without considering a support system and considering systematic grouted rock bolts and a layer of reinforced shotcrete as support system. The results obtained show that the excavation of the network of tunnels is technically feasible with the support system that has been designed.

In orthodontics, the 3D translational and rotational movement of a tooth is determined by the force–moment system applied and the location of the tooth’s centre of resistance (CR). Because of the practical constraints of in-vivo experiments, the finite element (FE) method is commonly used to determine the CR. The objective of this study was to investigate the geometric model details required for accurate CR determination, and the effect of material non-linearity of the periodontal ligament (PDL). A FE model of a human lower canine derived from a high-resolution µCT scan (voxel size: 50 µm) was investigated by applying four different modelling approaches to the PDL. These comprised linear and non-linear material models, each with uniform and realistic PDL thickness. The CR locations determined for the four model configurations were in the range 37.2–45.3% (alveolar margin: 0%; root apex: 100%). We observed that a non-linear material model introduces load-dependent results that are dominated by the PDL regions under tension. Load variation within the range used in clinical orthodontic practice resulted in CR variations below 0.3%. Furthermore, the individualized realistic PDL geometry shifted the CR towards the alveolar margin by 2.3% and 2.8% on average for the linear and non-linear material models, respectively. We concluded that for conventional clinical therapy and the generation of representative reference data, the least sophisticated modelling approach with linear material behaviour and uniform PDL thickness appears sufficiently accurate. Research applications that require more precise treatment monitoring and planning may, however, benefit from the more accurate results obtained from the non-linear constitutive law and individualized realistic PDL geometry.

We perform a comprehensive theoretical study of the structural and electronic properties of potassium niobate (KNbO3) in the cubic, tetragonal, orthorhombic, monoclinic, and rhombohedral phase, based on density-functional theory. The influence of different parametrizations of the exchange-correlation functional on the investigated properties is analyzed in detail, and the results are compared to available experimental data. We argue that the PBEsol and AM05 generalized gradient approximations as well as the RTPSS meta-generalized gradient approximation yield consistently accurate structural data for both the external and internal degrees of freedom and are overall superior to the local-density approximation or other conventional generalized gradient approximations for the structural characterization of KNbO3. Band-structure calculations using a HSE-type hybrid functional further indicate significant near degeneracies of band-edge states in all phases which are expected to be relevant for the optical response of the material.

We perform a theoretical analysis of the structural and electronic properties of sodium potassium niobate K [Formula omitted]Na [Formula omitted]NbO [Formula omitted] in the orthorhombic room-temperature phase, based on density-functional theory in combination with the supercell approach. Our results for [Formula omitted] and [Formula omitted] are in very good agreement with experimental measurements and establish that the lattice parameters decrease linearly with increasing Na contents, disproving earlier theoretical studies based on the virtual-crystal approximation that claimed a highly nonlinear behavior with a significant structural distortion and volume reduction in K [Formula omitted]Na [Formula omitted]NbO [Formula omitted] compared to both end members of the solid solution. Furthermore, we find that the electronic bandgap varies very little between [Formula omitted] and [Formula omitted], reflecting the small changes in the lattice parameters.