Quantum Coherence and Entanglement in Open Quantum Systems

We humans always want to believe that we can overpower nature. However, the reality is that nature outperforms humans in many aspects. Animals\u27 abilities to navigate/orient and photosynthesis are two excellent examples in these aspects. However, the mechanisms underlying them are still unknown. For decades, scientists and researchers have made a lot of efforts to reveal these mysteries in nature. Recently, quantum coherence and entanglement are believed to play a crucial role in such biological systems–avian compass and photosynthesis. Thus, nature might know more tricks to utilize quantum mechanics than humans. Studies on the mechanisms underlying avian compass and photosynthesis are highly able to improve or inspire new technologies in detection of weak magnetic fields and solar cells. In this thesis, the effect of quantum coherence and entanglement in these systems is studied. Based on the studied systems, this thesis falls into two parts: avian compass–radical pair mechanism and photosynthesis–enhancing photocell efficiency via coherence. The radical pair mechanism used to explain the avian compass is studied in the first part. It is demonstrated that Cryptochrome is a suitable candidate of the primary magnetoreceptor, located in birds\u27 eyes. Also, the product yields due to the radical pair reactions are able to act as the direction signal for birds. The long-lived quantum entanglement has presented between the radical pairs. In photosynthesis, quantum coherence has been demonstrated to play an essential role in high energy conversion efficiency. Studies have revealed that the quantum coherence can break the detailed balance, the key factor limiting the efficiency in artificial solar cells. By mimicking photosynthetic complexes, a designed solar cell taking advantage of coherent donors caused by dipole-dipole interactions is able to achieve a higher energy conversion efficiency than the famous Shockley-Queisser limit. Again, more and more evidence has shown that quantum mechanics is able to play a crucial role in biological systems. Quantum coherence and entanglement, as main signatures of quantum mechanics, can be used to explain many astonishing phenomena in nature, such as avian magnetoreception and photosynthesis. Learning from nature can accelerate developments of new technologies

Quantum Simulation of the Radical Pair Dynamics of the Avian Compass

The simulation of open quantum dynamics on quantum circuits has attracted wide interests recently with a variety of quantum algorithms developed and demonstrated. Among these, one particular design of a unitary-dilation-based quantum algorithm is capable of simulating general and complex physical systems. In this paper, we apply this quantum algorithm to simulating the dynamics of the radical pair mechanism in the avian compass. This application is demonstrated on the IBM QASM quantum simulator. This work is the first application of any quantum algorithm to simulating the radical pair mechanism in the avian compass, which not only demonstrates the generality of the quantum algorithm, but also opens new opportunities for studying the avian compass with quantum computing devices.Comment: 7 pages, 4 figure

A natural Hessian approximation for ensemble based optimization

A key challenge in reservoir management and other fields of engineering involves optimizing a nonlinear function iteratively. Due to the lack of available gradients in commercial reservoir simulators the attention over the last decades has been on gradient free methods or gradient approximations. In particular, the ensemble-based optimization has gained popularity over the last decade due to its simplicity and efficient implementation when considering an ensemble of reservoir models. Typically, a regression type gradient approximation is used in a backtracking or line search setting. This paper introduces an approximation of the Hessian utilizing a Monte Carlo approximation of the natural gradient with respect to the covariance matrix. This Hessian approximation can further be implemented in a trust region approach in order to improve the efficiency of the algorithm. The advantages of using such approximations are demonstrated by testing the proposed algorithm on the Rosenbrock function and on a synthetic reservoir field.publishedVersio

Quantum coherence and entanglement in the avian compass

The radical-pair mechanism is one of two distinct mechanisms used to explain the navigation of birds in geomagnetic fields, however little research has been done to explore the role of quantum entanglement in this mechanism. In this paper we study the lifetime of radical-pair entanglement corresponding to the magnitude and direction of magnetic fields to show that the entanglement lasts long enough in birds to be used for navigation. We also find that the birds appear to not be able to orient themselves directly based on radical-pair entanglement due to a lack of orientation sensitivity of the entanglement in the geomagnetic field. To explore the entanglement mechanism further, we propose a model in which the hyperfine interactions are replaced by local magnetic fields of similar strength. The entanglement of the radical pair in this model lasts longer and displays an angular sensitivity in weak magnetic fields, both of which are not present in previous models

Phase equilibrium calculations in shale gas reservoirs

Compositional multiphase flow in subsurface porous media is becoming increasingly attractive due to issues related with enhanced oil recovery, CO2 sequestration and the urgent need for development in unconventional oil/gas reservoirs. One key effort to construct the mathematical model governing the compositional flow is to determine the phase compositions of the fluid mixture, and then calculate other related physical properties. In this paper, recent progress on phase equilibrium calculations in unconventional reservoirs has been reviewed and concluded with authors’ own analysis, especially focusing on the special mechanisms involved. Phase equilibrium calculation is the main approach to investigate phase behaviors, which could be conducted using different variable specifications, such as the NPT flash and NVT flash. Recently, diffuse interface models, which have been proved to possess a high consistency with thermodynamic laws, have been introduced in the phase equilibrium calculation, incorporating the realistic equation of state (EOS), e.g. Peng-Robinson EOS. In the NVT flash, the Helmholtz free energy is minimized instead of the Gibbs free energy used in NPT flash, and this thermodynamic state function is decomposed into two terms using the convex-concave splitting technique. A semi-implicit numerical scheme is applied to the dynamic model, which ensures the thermodynamic stability and then preserves the fast convergence property. A positive definite coefficient matrix is designed to meet the Onsager reciprocal principle so as to keep the entropy increasing property in the presence of capillary pressure, which is required by the second law of thermodynamics. The robustness of the proposed algorithm is demonstrated by using two numerical examples, one of which has up to seven components. In the complex fluid mixture, special phenomena could be captured from the global minimum of tangent plane distance functions and the phase envelope. It can be found that the boundary between the single-phase and vapor-liquid two phase regions shifts in the presence of capillary pressure, and then the area of each region changes accordingly. Furthermore, the effect of the nanopore size distribution on the phase behavior has been analyzed and a multi-scale scheme is presented based on literature reviews. Fluid properties including swelling factor, criticality, bubble point and volumetrics have been investigated thoroughly by comparing with the bulk fluid flow in a free channel.Cited as: Zhang, T., Li, Y., Sun, S. Phase equilibrium calculations in shale gas reservoirs. Capillarity, 2019, 2(1): 8-16, doi: 10.26804/capi.2019.01.0

NH2+ implantations induced superior hemocompatibility of carbon nanotubes

NH(2)(+) implantation was performed on multiwalled carbon nanotubes (MWCNTs) prepared by chemical vapor deposition. The hemocompatibility of MWCNTs and NH(2)(+)-implanted MWCNTs was evaluated based on in vitro hemolysis, platelet adhesion, and kinetic-clotting tests. Compared with MWCNTs, NH(2)(+)-implanted MWCNTs displayed more perfect platelets and red blood cells in morphology, lower platelet adhesion rate, lower hemolytic rate, and longer kinetic blood-clotting time. NH(2)(+)-implanted MWCNTs with higher fluency of 1 × 10(16) ions/cm(2) led to the best thromboresistance, hence desired hemocompatibility. Fourier transfer infrared and X-ray photoelectron spectroscopy analyses showed that NH(2)(+) implantation caused the cleavage of some pendants and the formation of some new N-containing functional groups. These results were responsible for the enhanced hemocompatibility of NH(2)(+)-implanted MWCNTs