Contributions to single-shot energy exchanges in open quantum systems.

The exchange of energy between a classical open system and its environment can be analyzed for a single run of an experiment using the phase-space trajectory of the system. By contrast, in the quantum regime such energy exchange processes must be defined for an ensemble of runs of the same experiment based on the reduced system density matrix. Single-shot approaches based on stochastic wave functions have been proposed for quantum systems that are continuously monitored or weakly coupled to a heat bath. However, for systems strongly coupled to the environment and not continuously monitored, a single-shot analysis has not been attempted because no system wave function exists for such systems within the standard formulation of quantum theory. Using the notion of the conditional wave function of a quantum system, we derive here an exact formula for the rate of total energy change in an open quantum system, valid for arbitrary coupling between the system and the environment. In particular, this allows us to identify three distinct contributions to the total energy flow: an external contribution coming from the explicit time dependence of the Hamiltonian, an interaction contribution associated with the interaction part of the Hamiltonian, and an entanglement contribution, directly related to the presence of entanglement between the system and its environment. Given the close connection between weak values and the conditional wave function, the approach presented here provides a new avenue for experimental studies of energy fluctuations in open quantum systems.

Flux-tunable heat sink for quantum electric circuits.

Superconducting microwave circuits show great potential for practical quantum technological applications such as quantum information processing. However, fast and on-demand initialization of the quantum degrees of freedom in these devices remains a challenge. Here, we experimentally implement a tunable heat sink that is potentially suitable for the initialization of superconducting qubits. Our device consists of two coupled resonators. The first resonator has a high quality factor and a fixed frequency whereas the second resonator is designed to have a low quality factor and a tunable resonance frequency. We engineer the low quality factor using an on-chip resistor and the frequency tunability using a superconducting quantum interference device. When the two resonators are in resonance, the photons in the high-quality resonator can be efficiently dissipated. We show that the corresponding loaded quality factor can be tuned from above 105 down to a few thousand at 10 GHz in good quantitative agreement with our theoretical model.

Evolution of Temporal Coherence in Confined Exciton-Polariton Condensates.

We study the influence of spatial confinement on the second-order temporal coherence of the emission from a semiconductor microcavity in the strong coupling regime. The confinement, provided by etched micropillars, has a favorable impact on the temporal coherence of solid state quasicondensates that evolve in our device above threshold. By fitting the experimental data with a microscopic quantum theory based on a quantum jump approach, we scrutinize the influence of pump power and confinement and find that phonon-mediated transitions are enhanced in the case of a confined structure, in which the modes split into a discrete set. By increasing the pump power beyond the condensation threshold, temporal coherence significantly improves in devices with increased spatial confinement, as revealed in the transition from thermal to coherent statistics of the emitted light.

Multivalent cation induced attraction of anionic polymers by like-charged pores.

The efficiency of nanopore-based polymer sensing devices depends on the fast capture of anionic polyelectrolytes by negatively charged pores. This requires the cancellation of the electrostatic barrier associated with repulsive polymer-pore interactions. We develop a correlation-corrected theory to show that the barrier experienced by the polymer can be efficiently overcome by the addition of multivalent cations into the electrolyte solution. Cation adsorption into the pore enhances the screening ability of the pore medium with respect to the bulk reservoir which translates into an attractive force on the polymer. Beyond a critical multivalent cation concentration, this correlation-induced attraction overcomes the electrostatic barrier and triggers the adsorption of the polymer by the like-charged pore. It is shown that like-charge polymer-pore attraction is suppressed by monovalent salt but enhanced by the membrane charge strength and the pore confinement. Our predictions may provide enhanced control over polymer motion in translocation experiments.

Atomic Scale Formation Mechanism of Edge Dislocation Relieving Lattice Strain in a GeSi overlayer on Si(001).

Understanding how edge misfit dislocations (MDs) form in a GeSi/Si(001) film has been a long standing issue. The challenge is to find a mechanism accounting for the presence of these dislocations at the interface since they are not mobile and cannot nucleate at the surface and glide towards the interface. Furthermore, experiments can hardly detect the nucleation and early stages of growth because of the short time scale involved. Here we present the first semi-quantitative atomistic calculation of the formation of edge dislocations in such films. We use a global optimization method and density functional theory calculations, combined with computations using potential energy functions to identify the best mechanisms. We show that those previously suggested are relevant only for a low film strain and we propose a new mechanism which accounts for the formation of edge dislocations at high film strain. In this one, a 60° MD nucleates as a "split" half-loop with two branches gliding on different planes. One branch belongs to the glide plane of a complementary 60° MD and therefore strongly favors the formation of the complementary MD which is immediately combined with the first MD to form an edge MD.

Controlling polymer capture and translocation by electrostatic polymer-pore interactions.

Polymer translocation experiments typically involve anionic polyelectrolytes such as DNA molecules driven through negatively charged nanopores. Quantitative modeling of polymer capture to the nanopore followed by translocation therefore necessitates the consideration of the electrostatic barrier resulting from like-charge polymer-pore interactions. To this end, in this work we couple mean-field level electrohydrodynamic equations with the Smoluchowski formalism to characterize the interplay between the electrostatic barrier, the electrophoretic drift, and the electro-osmotic liquid flow. In particular, we find that due to distinct ion density regimes where the salt screening of the drift and barrier effects occurs, there exists a characteristic salt concentration maximizing the probability of barrier-limited polymer capture into the pore. We also show that in the barrier-dominated regime, the polymer translocation time τ increases exponentially with the membrane charge and decays exponentially fast with the pore radius and the salt concentration. These results suggest that the alteration of these parameters in the barrier-driven regime can be an efficient way to control the duration of the translocation process and facilitate more accurate measurements of the ionic current signal in the pore.

Comparison between quantum jumps and master equation in the presence of a finite environment.

We study the equivalence between the recently proposed finite environment quantum jump model and a master equation approach. We derive microscopically the master equation for a qubit coupled to a finite bosonic environment and show that the master equation is equivalent to the finite environment quantum jump model. We analytically show that both the methods produce the same moments of work when the work is defined through the two-measurement protocol excluding the interaction energy. However, when compared to the work moments computed using the power operator approach, we find a difference in the form of the work moments. To numerically verify our results, we study a qubit coupled to an environment consisting of ten two-level systems.

Quantum jump model for a system with a finite-size environment.

Measuring the thermodynamic properties of open quantum systems poses a major challenge. A calorimetric detection has been proposed as a feasible experimental scheme to measure work and fluctuation relations in open quantum systems. However, the detection requires a finite size for the environment, which influences the system dynamics. This process cannot be modeled with the standard stochastic approaches. We develop a quantum jump model suitable for systems coupled to a finite-size environment. We use the method to study the common fluctuation relations and prove that they are satisfied.

Electrostatics of polymer translocation events in electrolyte solutions.

We develop an analytical theory that accounts for the image and surface charge interactions between a charged dielectric membrane and a DNA molecule translocating through the membrane. Translocation events through neutral carbon-based membranes are driven by a competition between the repulsive DNA-image-charge interactions and the attractive coupling between the DNA segments on the trans and the cis sides of the membrane. The latter effect is induced by the reduction of the coupling by the dielectric membrane. In strong salt solutions where the repulsive image-charge effects dominate the attractive trans-cis coupling, the DNA molecule encounters a translocation barrier of ≈10 kBT. In dilute electrolytes, the trans-cis coupling takes over image-charge forces and the membrane becomes a metastable attraction point that can trap translocating polymers over long time intervals. This mechanism can be used in translocation experiments in order to control DNA motion by tuning the salt concentration of the solution.

Long-wavelength properties of phase-field-crystal models with second-order dynamics.

The phase-field-crystal (PFC) approach extends the notion of phase-field models by describing the topology of the microscopic structure of a crystalline material. One of the consequences is that local variation of the interatomic distance creates an elastic excitation. The dynamics of these excitations poses a challenge: pure diffusive dynamics cannot describe relaxation of elastic stresses that happen through phonon emission. To this end, several different models with fast dynamics have been proposed. In this article we use the amplitude expansion of the PFC model to compare the recently proposed hydrodynamic PFC amplitude model with two simpler models with fast dynamics. We compare these different models analytically and numerically. The results suggest that in order to have proper relaxation of elastic excitations, the full hydrodynamical description of the PFC amplitudes is required.

Honeycomb and triangular domain wall networks in heteroepitaxial systems.

A comprehensive study is presented for the influence of misfit strain, adhesion strength, and lattice symmetry on the complex Moiré patterns that form in ultrathin films of honeycomb symmetry adsorbed on compact triangular or honeycomb substrates. The method used is based on a complex Ginzburg-Landau model of the film that incorporates elastic strain energy and dislocations. The results indicate that different symmetries of the heteroepitaxial systems lead to distinct types of domain wall networks and phase transitions among various surface Moiré patterns and superstructures. More specifically, the results show a dramatic difference between the phase diagrams that emerge when a honeycomb film is adsorbed on substrates of honeycomb versus triangular symmetry. It is also shown that in the small deformation limit, the complex Ginzburg-Landau model reduces to a two-dimensional sine-Gordon free energy form. This free energy can be solved exactly for one dimensional patterns and reveals the role of domains walls and their crossings in determining the nature of the phase diagrams.

Electrostatic energy barriers from dielectric membranes upon approach of translocating DNA molecules.

We probe the electrostatic cost associated with the approach phase of DNA translocation events. Within an analytical theory at the Debye-Hückel level, we calculate the electrostatic energy of a rigid DNA molecule interacting with a dielectric membrane. For carbon or silicon based low permittivity neutral membranes, the DNA molecule experiences a repulsive energy barrier between 10 k(B)T and 100 k(B)T. In the case of engineered membranes with high dielectric permittivities, the membrane surface attracts the DNA with an energy of the same magnitude. Both the repulsive and attractive interactions result from image-charge effects and their magnitude survive even for the thinnest graphene-based membranes of size d ≈ 6 Å. For weakly charged membranes, the electrostatic energy is always attractive at large separation distances but switches to repulsive close to the membrane surface. We also characterise the polymer length dependence of the interaction energy. For specific values of the membrane charge density, low permittivity membranes repel short polymers but attract long polymers. Our results can be used to control the strong electrostatic energy of DNA-membrane interactions prior to translocation events by chemical engineering of the relevant system parameters.

Consistent Hydrodynamics for Phase Field Crystals.

We use the amplitude expansion in the phase field crystal framework to formulate an approach where the fields describing the microscopic structure of the material are coupled to a hydrodynamic velocity field. The model is shown to reduce to the well-known macroscopic theories in appropriate limits, including compressible Navier-Stokes and wave equations. Moreover, we show that the dynamics proposed allows for long wavelength phonon modes and demonstrate the theory numerically showing that the elastic excitations in the system are relaxed through phonon emission.

Computation of shear viscosity of colloidal suspensions by SRD-MD.

The behaviour of sheared colloidal suspensions with full hydrodynamic interactions (HIs) is numerically studied. To this end, we use the hybrid stochastic rotation dynamics-molecular dynamics (SRD-MD) method. The shear viscosity of colloidal suspensions is computed for different volume fractions, both for dilute and concentrated cases. We verify that HIs help in the collisions and the streaming of colloidal particles, thereby increasing the overall shear viscosity of the suspension. Our results show a good agreement with known experimental, theoretical, and numerical studies. This work demonstrates the ability of SRD-MD to successfully simulate transport coefficients that require correct modelling of HIs.

Fluctuations of work in nearly adiabatically driven open quantum systems.

We extend the quantum jump method to nearly adiabatically driven open quantum systems in a way that allows for an accurate account of the external driving in the system-environment interaction. Using this framework, we construct the corresponding trajectory-dependent work performed on the system and derive the integral fluctuation theorem and the Jarzynski equality for nearly adiabatic driving. We show that such identities hold as long as the stochastic dynamics and work variable are consistently defined. We numerically study the emerging work statistics for a two-level quantum system and find that the conventional diabatic approximation is unable to capture some prominent features arising from driving, such as the continuity of the probability density of work. Our results reveal the necessity of using accurate expressions for the drive-dressed heat exchange in future experiments probing jump time distributions.

Ionic current inversion in pressure-driven polymer translocation through nanopores.

We predict streaming current inversion with multivalent counterions in hydrodynamically driven polymer translocation events from a correlation-corrected charge transport theory including charge fluctuations around mean-field electrostatics. In the presence of multivalent counterions, electrostatic many-body effects result in the reversal of the DNA charge. The attraction of anions to the charge-inverted DNA molecule reverses the sign of the ionic current through the pore. Our theory allows for a comprehensive understanding of the complex features of the resulting streaming currents. The underlying mechanism is an efficient way to detect DNA charge reversal in pressure-driven translocation experiments with multivalent cations.

On-Chip Maxwell's Demon as an Information-Powered Refrigerator.

We present an experimental realization of an autonomous Maxwell's demon, which extracts microscopic information from a system and reduces its entropy by applying feedback. It is based on two capacitively coupled single-electron devices, both integrated on the same electronic circuit. This setup allows a detailed analysis of the thermodynamics of both the demon and the system as well as their mutual information exchange. The operation of the demon is directly observed as a temperature drop in the system. We also observe a simultaneous temperature rise in the demon arising from the thermodynamic cost of generating the mutual information.

Controlling polymer translocation and ion transport via charge correlations.

We develop a correlation-corrected transport theory in order to predict ionic and polymer transport properties of membrane nanopores under physical conditions where mean-field electrostatics breaks down. The experimentally observed low KCl conductivity of open α-hemolysin pores is quantitatively explained by the presence of surface polarization effects. Upon the penetration of a DNA molecule into the pore, these polarization forces combined with the electroneutrality of DNA sets a lower boundary for the ionic current, explaining the weak salt dependence of blocked pore conductivities at dilute ion concentrations. The addition of multivalent counterions to the solution results in the reversal of the polymer charge and the direction of the electroosmotic flow. With trivalent spermidine or quadrivalent spermine molecules, the charge inversion is strong enough to stop the translocation of the polymer and to reverse its motion. This mechanism can be used efficiently in translocation experiments in order to improve the accuracy of DNA sequencing by minimizing the translocation velocity of the polymer.

Phase-field-crystal models and mechanical equilibrium.

Phase-field-crystal (PFC) models constitute a field theoretical approach to solidification, melting, and related phenomena at atomic length and diffusive time scales. One of the advantages of these models is that they naturally contain elastic excitations associated with strain in crystalline bodies. However, instabilities that are diffusively driven towards equilibrium are often orders of magnitude slower than the dynamics of the elastic excitations, and are thus not included in the standard PFC model dynamics. We derive a method to isolate the time evolution of the elastic excitations from the diffusive dynamics in the PFC approach and set up a two-stage process, in which elastic excitations are equilibrated separately. This ensures mechanical equilibrium at all times. We show concrete examples demonstrating the necessity of the separation of the elastic and diffusive time scales. In the small-deformation limit this approach is shown to agree with the theory of linear elasticity.