arXiv subjects

Lijie Ding

Publications and source records attributed to Lijie Ding.

28 records · Page 2Linked to original sources

arXiv2024

Machine Learning Inversion from Scattering for Mechanically Driven Polymers

We develop a Machine Learning Inversion method for analyzing scattering functions of mechanically driven polymers and extracting the corresponding feature parameters, which include energy parameters and conformation variables. The polymer is modeled as a chain of fixed-length bonds constrained by bending energy, and it is subject to external forces such as stretching and shear. We generate a data set consisting of random combinations of energy parameters, including bending modulus, stretching, and shear force, along with Monte Carlo-calculated scattering functions and conformation variables such as end-to-end distance, radius of gyration, and the off-diagonal component of the gyration tensor. The effects of the energy parameters on the polymer are captured by the scattering function, and principal component analysis ensures the feasibility of the Machine Learning inversion. Finally, we train a Gaussian Process Regressor using part of the data set as a training set and validate the trained regressor for inversion using the rest of the data. The regressor successfully extracts the feature parameters.

cond-mat.soft↗

arXiv2024

Off-Lattice Markov Chain Monte Carlo Simulations of Mechanically Driven Polymers

We develop off-lattice simulations of semiflexible polymer chains subjected to applied mechanical forces using Markov Chain Monte Carlo. Our approach models the polymer as a chain of fixed-length bonds, with configurations updated through adaptive non-local Monte Carlo moves. This proposed method enables precise calculation of a polymer's response to a wide range of mechanical forces, which traditional on-lattice models cannot achieve. Our approach has shown excellent agreement with theoretical predictions of persistence length and end-to-end distance in quiescent states, as well as stretching distances under tension. Moreover, our model eliminates the orientational bias present in on-lattice models, which significantly impacts calculations such as the scattering function, a crucial technique for revealing polymer conformation.

cond-mat.soft↗

arXiv2023

Chiral fluid membranes with orientational order and multiple edges

We carry out Monte Carlo simulations on fluid membranes with orientational order and multiple edges in the presence and absence of external forces. The membrane resists bending and has an edge tension, the orientational order couples with the membrane surface normal through a cost for tilting, and there is a chiral liquid crystalline interaction. In the absence of external forces, a membrane initialized as a vesicle will form a disk at low chirality, with the directors forming a smectic-A phase with alignment perpendicular to the membrane surface except near the edge. At large chirality a catenoid-like shape or a trinoid-like shape is formed, depending on the number of edges in the initial vesicle. This shape change is accompanied by cholesteric ordering of the directors and multiple $π$ walls connecting the membrane edges and wrapping around the membrane neck. If the membrane is initialized instead in a cylindrical shape and stretched by an external force, it maintains a nearly cylindrical shape but additional liquid crystalline phases appear. For large tilt coupling and low chirality, a smectic-A phase forms. For lower values of the tilt coupling, a nematic phase appears at zero chirality with the average director oriented perpendicular to the long axis of the membrane, while for nonzero chirality a cholesteric phase appears. The $π$ walls are tilt walls at low chirality and transition to twist walls as chirality is increased. We construct a continuum model of the director field to explain this behavior.

cond-mat.soft↗

arXiv2023

Physics-Guided Graph Neural Networks for Real-time AC/DC Power Flow Analysis

The increasing scale of alternating current and direct current (AC/DC) hybrid systems necessitates a faster power flow analysis tool than ever. This letter thus proposes a specific physics-guided graph neural network (PG-GNN). The tailored graph modelling of AC and DC grids is firstly advanced to enhance the topology adaptability of the PG-GNN. To eschew unreliable experience emulation from data, AC/DC physics are embedded in the PG-GNN using duality. Augmented Lagrangian method-based learning scheme is then presented to help the PG-GNN better learn nonconvex patterns in an unsupervised label-free manner. Multi-PG-GNN is finally conducted to master varied DC control modes. Case study shows that, relative to the other 7 data-driven rivals, only the proposed method matches the performance of the model-based benchmark, also beats it in computational efficiency beyond 10 times.

eess.SY↗

arXiv2021

Deformation and orientational order of chiral membranes with free edges

Motivated by experiments on colloidal membranes composed of chiral rod-like viruses, we use Monte Carlo methods to determine the phase diagram for the liquid crystalline order of the rods and the membrane shape. We generalize the Lebwohl-Lasher model for a nematic with a chiral coupling to a curved surface with edge tension and a resistance to bending, and include an energy cost for tilting of the rods relative to the local membrane normal. The membrane is represented by a triangular mesh of hard beads joined by bonds, where each bead is decorated by a director. The beads can move, the bonds can reconnect and the directors can rotate at each Monte Carlo step. When the cost of tilt is small, the membrane tends to be flat, with the rods only twisting near the edge for low chiral coupling, and remaining parallel to the normal in the interior of the membrane. At high chiral coupling, the rods twist everywhere, forming a cholesteric state. When the cost of tilt is large, the emergence of the cholesteric state at high values of the chiral coupling is accompanied by the bending of the membrane into a saddle shape. Increasing the edge tension tends to flatten the membrane. These results illustrate the geometric frustration arising from the inability of a surface normal to have twist.

cond-mat.soft↗

arXiv2021

Tertiary Regulation of Cascaded Run-of-the-River Hydropower in the Islanded Renewable Power System Considering Multi-Timescale Dynamics

To enable power supply in rural areas and to exploit clean energy, fully renewable power systems consisting of cascaded run-of-the-river hydropower and volatile energies such as pv and wind are built around the world. In islanded operation mode, the primary and secondary frequency control, i.e., hydro governors and automatic generation control (AGC), are responsible for the frequency stability. However, due to limited water storage capacity of run-of-the-river hydropower and river dynamics constraints, without coordination between the cascaded plants, the traditional AGC with fixed participation factors cannot fully exploit the adjustability of cascaded hydropower. When imbalances between the volatile energy and load occur, load shedding can be inevitable. To address this issue, this paper proposes a coordinated tertiary control approach by jointly considering power system dynamics and the river dynamics that couples the cascaded hydropower plants. The timescales of the power system and river dynamics are very different. To unify the multi-timescale dynamics to establish a model predictive controller that coordinates the cascaded plants, the relation between AGC parameters and turbine discharge over a time interval is approximated by a data-based second-order polynomial surrogate model. The cascaded plants are coordinated by optimising AGC participation factors in a receding-horizon manner, and load shedding is minimised. Simulation of a real-life system with real-time pv data collected on site shows the proposed method significantly reduces load loss under pv volatility.

math.OC↗

arXiv2019

Shapes of fluid membranes with chiral edges

We carry out Monte Carlo simulations of a colloidal fluid membrane composed of chiral rod-like viruses. The membrane is modeled by a triangular mesh of beads connected by bonds in which the bonds and beads are free to move at each Monte Carlo step. Since the constituent viruses are experimentally observed to twist only near the membrane edge, we use an effective energy that favors a particular sign of the geodesic torsion of the edge. The effective energy also includes membrane bending stiffness, edge bending stiffness, and edge tension. We find three classes of membrane shapes resulting from the competition of the various terms in the free energy: branched shapes, chiral disks, and vesicles. Increasing the edge bending stiffness smooths the membrane edge, leading to correlations among the membrane normal at different points along the edge. We also consider membrane shapes under an external force by fixing the distance between two ends of the membrane, and find the shape for increasing values of the distance between the two ends. As the distance increases, the membrane twists into a ribbon, with the force eventually reaching a plateau.

cond-mat.soft↗

arXiv2017

Lifted Worm Algorithm for the Ising Model

We design an irreversible worm algorithm for the zero-field ferromagnetic Ising model by using the lifting technique. We study the dynamic critical behavior of an energy estimator on both the complete graph and toroidal grids, and compare our findings with reversible algorithms such as the Prokof'ev-Svistunov worm algorithm. Our results show that the lifted worm algorithm improves the dynamic exponent of the energy estimator on the complete graph, and leads to a significant constant improvement on toroidal grids.

cond-mat.stat-mech↗

arXiv2016

Risk Assessment of Multi-timescale Cascading Outages based on Markovian Tree Search

In the risk assessment of cascading outages, the rationality of simulation and efficiency of computation are both of great significance. To overcome the drawback of sampling-based methods that huge computation resources are required and the shortcoming of initial contingency selection practices that the dependencies in sequences of outages are omitted, this paper proposes a novel risk assessment approach by searching on Markovian Tree. The Markovian tree model is reformulated from the quasi-dynamic multi-timescale simulation model proposed recently to ensure reasonable modeling and simulation of cascading outages. Then a tree search scheme is established to avoid duplicated simulations on same cascade paths, significantly saving computation time. To accelerate the convergence of risk assessment, a risk estimation index is proposed to guide the search for states with major contributions to the risk, and the risk assessment is realized based on the risk estimation index with a forward tree search and backward update algorithm. The effectiveness of the proposed method is illustrated on a 4-node power system, and its convergence profile as well as efficiency is demonstrated on the RTS-96 test system.

eess.SY↗

arXiv2016

Trajectory Prediction of Rotating Objects in Viscous Fluid: Based on Kinematic Investigation of Magnus Glider

The case of a rotating object traveling through viscous fluid appears in many phenomena like the banana ball and missile movement. In this work, we build a model to predict the trajectory of such rotating objects with near-cylinder geometry. The analytical expression of Magnus force is given and a wind tunnel experiment is carried out, which shows the Magnus force is well proportional to the product of angular velocity and centroid velocity. The trajectory prediction is consistent with the trajectory record experiment of Magnus glider, which implies the validity and robustness of this model.

physics.flu-dyn↗