arXiv subjects

Junkai Deng

Publications and source records attributed to Junkai Deng.

12 recordsLinked to original sources

arXiv2026

SharpNet: Enhancing MLPs to Represent Functions with Controlled Non-differentiability

Multi-layer perceptrons (MLPs) are a standard tool for learning and function approximation, but they inherently produce globally smooth outputs. Consequently, they struggle to represent functions that are continuous yet intentionally non-differentiable (i.e., functions with prescribed $C^0$ sharp features) without ad hoc post-processing. We present SharpNet, a modified MLP architecture that encodes user-specified sharp features by augmenting the network with an auxiliary feature function defined as the solution to Poisson's equation with jump Neumann boundary conditions. This feature function is evaluated via an efficient local integral and is fully differentiable with respect to the feature locations, allowing us to jointly optimize both the feature locations and the MLP parameters to recover the target function or geometry. This construction provides precise control over where non-differentiability occurs, enforcing the desired $C^0$ behavior at feature locations while preserving smoothness elsewhere. We validate SharpNet on 2D problems and 3D CAD reconstruction, and compare it with several state-of-the-art baselines. In both settings, SharpNet accurately recovers sharp edges and corners while remaining smooth away from them, whereas existing methods tend to blur gradient discontinuities. Qualitative and quantitative results demonstrate the effectiveness of our approach. Our project page, code and models are publicly available at https://sharpnettech.github.io.

cs.CV↗

arXiv2025

Voronoi-Assisted Optimization for Diffusing Unsigned Distance Fields from Unoriented Points

Unsigned Distance Fields (UDFs) provide a flexible representation for 3D shapes with arbitrary topology, including open and closed surfaces, orientable and non-orientable geometries, and non-manifold structures. While recent neural approaches have shown promise in learning UDFs, they often suffer from numerical instability, high computational cost, and limited controllability. We present a lightweight, network-free method, Voronoi-Assisted Optimization for Diffusing (VAD), to compute UDFs directly from unoriented point clouds. Our approach begins by assigning bi-directional normals to input points, guided by two Voronoi-based geometric criteria encoded in an energy function for optimal alignment. The aligned normals are then diffused to form an approximate UDF gradient field, which is subsequently integrated to recover the final UDF. Experiments demonstrate that VAD robustly handles watertight and open surfaces, as well as complex non-manifold and non-orientable geometries, while remaining computationally efficient and stable.

cs.CV↗

arXiv2024

Domain-Pair Intertwined Topological Domain Structure in Elemental Bi Monolayer

Ferroelectric domain structures, separated by domain walls, often display unconventional physics and hold significant potential for applications in nano-devices. Most naturally growth domain walls are charge-neutral to avoid increased electrostatic energy, while the intrinsically stable charged 180{\deg} domain walls in Bi monolayer challenged this conventional knowledge and emerged an unexplored field. Here, using machine-learning potential and molecular dynamics (MD) simulations, we investigated the finite-temperature dynamics of domain walls and discovered a domain-pair intertwined topological domain structure in Bi monolayer. In 180{\deg} domain walls, a unique polarization switching mechanism is observed, characterized by the out-of-plane shuffle of Bi atoms without bond breaking. This shuffle mechanism reverses the charge properties of Bi atoms, transforming Bi anions into cations and vice versa, ultimately reversing the polarization. Then, we observed a topological multi-domain structure with two groups of domain pairs intertwined. The charged 180{\deg} domain walls form local domain pairs, with the 90{\deg} domain walls emerge between different domain pairs. This multi-domain maintains a stable topological structure within the strain range ({\epsilon}_x = 0 to 4.70%) and exhibits rich domain wall reactions under further applied strain. Our findings provide insights into the charged 180{\deg} domain walls and the related topological domain structures, enabling new opportunities for applications in electronic and nano-electronic devices.

cond-mat.mtrl-sci↗

arXiv2024

From Transparent to Opaque: Rethinking Neural Implicit Surfaces with $\alpha$-NeuS

Traditional 3D shape reconstruction techniques from multi-view images, such as structure from motion and multi-view stereo, face challenges in reconstructing transparent objects. Recent advances in neural radiance fields and its variants primarily address opaque or transparent objects, encountering difficulties to reconstruct both transparent and opaque objects simultaneously. This paper introduces $\alpha$-Neus -- an extension of NeuS -- that proves NeuS is unbiased for materials from fully transparent to fully opaque. We find that transparent and opaque surfaces align with the non-negative local minima and the zero iso-surface, respectively, in the learned distance field of NeuS. Traditional iso-surfacing extraction algorithms, such as marching cubes, which rely on fixed iso-values, are ill-suited for such data. We develop a method to extract the transparent and opaque surface simultaneously based on DCUDF. To validate our approach, we construct a benchmark that includes both real-world and synthetic scenes, demonstrating its practical utility and effectiveness. Our data and code are publicly available at https://github.com/728388808/alpha-NeuS.

cs.CV↗

arXiv2023

Unexpected Reversed Piezoelectric Response in Elemental Sb and Bi Monolayers

Sb and Bi monolayers, as single-elemental ferroelectric materials with similar atomic structure, hold intrinsic piezoelectricity theoretically, which makes them highly promising for applications in functional nano-devices such as sensors and actuators. Here, using first-principles calculations, we systematically explore the piezoelectric response of Sb and Bi monolayers. Our findings reveal that Sb exhibits a negative piezoelectric response, whereas Bi displays a positive one. This discrepancy is attributed to the dominant role of different atomic internal distortions (internal-strain terms) in response to applied strain. Further electron-density distribution analysis reveals that the atomic bonding in Sb tends to be covalent, while the atomic bonding in Bi leans more towards ionic. Compared to the Sb monolayer, the Bi monolayer is distinguished by its more pronounced lone-pair orbitals electrons and associated larger Born effective charges. The Coulomb repulsions between lone-pair orbitals electrons and the chemical bonds lead to the Bi monolayer possessing more prominent atomic folds and, consequently, more significant atomic distortion in the z-direction under strain. These differences result in a considerable difference in internal-strain terms, ultimately leading to the reversed piezoelectric response between Sb and Bi monolayers. The present work provides valuable insights into the piezoelectric mechanism of 2D ferroelectric materials and their potential applications in nano-electronic devices.

cond-mat.mtrl-sci↗

arXiv2023

A volatile polymer stamp for large-scale, etching-free, and ultraclean transfer and assembly of two-dimensional materials and its heterostructures

The intact transfer and assembly of two-dimensional (2D) materials and their heterostructures are critical for their integration into advanced electronic and optical devices. Herein, we report a facile technique called volatile polymer stamping (VPS) to achieve efficient transfer of 2D materials and assembly of large-scale heterojunctions with clean interfaces. The central feature of the VPS technique is the use of volatile polyphthalaldehyde (PPA) together with hydrophobic polystyrene (PS). While PS enables the direct delamination of 2D materials from hydrophilic substrates owing to water intercalation, PPA can protect 2D materials from solution attack and maintain their integrity during PS removal. Thereafter, PPA can be completely removed by thermal annealing at 180 °C. The proposed VPS technique overcomes the limitations of currently used transfer techniques, such as chemical etching during the delamination stage, solution tearing during cleaning, and contamination from polymer residues.

physics.app-ph↗

arXiv2023

2S-UDF: A Novel Two-stage UDF Learning Method for Robust Non-watertight Model Reconstruction from Multi-view Images

Recently, building on the foundation of neural radiance field, various techniques have emerged to learn unsigned distance fields (UDF) to reconstruct 3D non-watertight models from multi-view images. Yet, a central challenge in UDF-based volume rendering is formulating a proper way to convert unsigned distance values into volume density, ensuring that the resulting weight function remains unbiased and sensitive to occlusions. Falling short on these requirements often results in incorrect topology or large reconstruction errors in resulting models. This paper addresses this challenge by presenting a novel two-stage algorithm, 2S-UDF, for learning a high-quality UDF from multi-view images. Initially, the method applies an easily trainable density function that, while slightly biased and transparent, aids in coarse reconstruction. The subsequent stage then refines the geometry and appearance of the object to achieve a high-quality reconstruction by directly adjusting the weight function used in volume rendering to ensure that it is unbiased and occlusion-aware. Decoupling density and weight in two stages makes our training stable and robust, distinguishing our technique from existing UDF learning approaches. Evaluations on the DeepFashion3D, DTU, and BlendedMVS datasets validate the robustness and effectiveness of our proposed approach. In both quantitative metrics and visual quality, the results indicate our superior performance over other UDF learning techniques in reconstructing 3D non-watertight models from multi-view images. Our code is available at https://bitbucket.org/jkdeng/2sudf/.

cs.CV↗

arXiv2022

Tunable ferroelectric topological defects on 2D topological surfaces: strain engineering skyrmion-like polar structures in 2D materials

Polar topological structures in ferroelectric thin films have recently drawn significant interest due to their fascinating physical behaviors and promising applications in high-density nonvolatile memories. However, most polar topological patterns are only observed in the perovskites superlattices. Here, we report the discovery of the tunable ferroelectric polar topological defective structures designed and achieved by strain engineering in two-dimensional PbX (X=S, Se, and Te) materials using multiscale computational simulations. First, the first-principles calculations demonstrate the strain-induced recoverable ferroelectric phase transition in such 2D materials. The unique polar topological vortex pattern is then induced by applied mechanical indentation, evidenced by molecular dynamics simulations based on a developed deep-learning potential. According to the strain phase diagram and applied complex strain loadings, the diverse polar topological structures, including antivortex structure and flux-closure structure, are predicted to be emergent through the finite-element simulations. We conclude that strain engineering is promising to tailor various designed reversible polar topologies in ultra-flexible 2D materials, which provide excellent opportunities for next-generation nanoelectronics and sensor devices.

cond-mat.mtrl-sci↗

arXiv2021

Interlayer Sliding-Induced Intralayer Ferroelectric Switching in Bilayer Group-IV Monochalcogenides

Two-dimensional materials with ferroelectric properties break the size effect of conventional ferroelectric materials and unlock unprecedented potentials of ferroelectric-related application at small length scales. In this work, using density functional theory (DFT) calculations, we discover a tribo-ferroelectricity behavior in a group of bilayer group-IV monochalcogenides (MX, with M = Ge, Sn and X = S, Se). Upon interlayer sliding over an in-plane unit cell length, the top layer exhibits a reversible intralayer ferroelectric switching, leading to a reversible transition between the ferroelectric (electric polarization of 40$μ$C/cm$^2$) and antiferroelectric states in the bilayer MXs. Our results show that the interlayer van der Waals interaction, which is usually considered to be weak, can actually generate an in-plane lattice distortion and thus cause the breaking/forming of intralayer covalent bonds in the top layer, leading to the observed tribo-ferroelectricity phenomenon. This unique property has several advantages for energy harvesting over existing piezoelectric and triboelectric nanogenerators. The interlayer sliding-induced polarization change is as high as 40$μ$C/cm$^2$, which can generate an open-circuit voltage two orders of magnitude higher than that of MoS$_2$-based nanogenerators. The polarization change occurs over a time period for interlayer sliding over a unit-cell length, leading to an ultrahigh polarization changing rate and thus an ultrahigh short-circuit current. The theoretical prediction of power output for the tribo-ferroelectric bilayer MXs at a moderate sliding speed 1 m/s is four orders of magnitude higher than the MoS$_2$ nanogenerator, indicating great potentials in energy harvesting applications.

cond-mat.mtrl-sci↗

arXiv2020

Diverse electronic and magnetic properties of CrS2 enabling novel strain-controlled 2D lateral heterostructure spintronic devices

Lateral heterostructures of two-dimensional (2D) materials, integrating different phases or materials into a single piece of nanosheet, have attracted intensive research interests in the past few years for high-performance electronic and optoelectronic devices. It also holds promises to significantly improve the performance and enable new functions of spintronic devices. It is imperative to have a 2D material possessing diverse electronic and magnetic properties that are required in spintronics. In this work, using density functional theory calculations, we surveyed all IV, V and VI group transition metal dichalcogenides (TMDs) and discovered that CrS2 has the most diverse electronic and magnetic properties: antiferromagnetic (AFM) metallic 1T phase, nonmagnetic (NM) semiconductor 2H phase, and ferromagnetic (FM) semiconductor 1T_prime phase with a Curie temperature of ~1000 K. More interestingly, we found that a tensile or compressive strain could turn 1T_prime phase into a spin-up or spin-down half metal. Such a unique feature enables designing strain-controlled spintronic devices using a single piece of CrS2 crystal with improved energy efficiency, which remains a challenge in miniaturization of spintronic devices. In-depth analysis attributed the unique strain tunability to the interplay between strain-induced lattice deformation and different spatial orientation of the spin-up/spin-down electronic orbitals. A prototypical design of a simple spin-valve logic device operated by strain is also presented.

cond-mat.mtrl-sci↗

arXiv2019

Modulating Peierls distortion of 1T_prime MoS2 via charge doping: a new charge density wave phase, reversible phase transition, and excellent electromechanical properties

The 1T_prime phase of transition metal dichalcogenides (TMDs) is a low symmetry charge density wave (CDW) phase, which can be regarded as a periodically distorted structure (Peierls distortion) of the high symmetry 1T phase. In this paper, using density functional theory (DFT) calculations, we report that the positive charge (hole) injection is an effective method to modulate the Peierls distortion of MoS2 1T_prime for new CDW phase and superior electromechanical properties. A new stable CDW phase is discovered at hole doping level of ~ 0.10h+/atom, named as 1Tt_prime. The hole charging and discharging can induce a reversible phase transition of MoS2 among the three phases, 1T, 1T_prime and 1Tt_prime. Such reversible phase transition leads to superior electromechanical properties including a strain output as high as -5.8% with a small hysteresis loop, multi-step super-elasticity, and multi-shape memory effect, which are valuable in active electromechanical device designs at nanoscale. In-depth analysis on the change of electronic structure under hole doping was performed to understand the new CDW phase and the observed phase transition. Using charge doping to modulate the Peierls distortion in two-dimensional materials can serve as a general concept for nano-active material designs.

cond-mat.mtrl-sci↗

arXiv2014

Cation ordering induced polarization enhancement for $PbTiO_3$-$SrTiO_3$ ferroelectric-dielectric superlattices

In this paper, an efficient computational material design approach (cluster expansion) is employed for the ferroelectric $PbTiO_3$/$SrTiO_3$ system. Via exploring a conguration space including over $3 \times 10^6$ candidates, two special cation ordered configurations: either perfect or mixed 1/1 (101) superlattice, are identified with the mostly enhanced ferroelectric polarization by up to about 100% in comparison with the (001) superlattice. Analyzing these two special configurations reveals the exotic couplings between the antiferrodistortive distortion (AFD) and ferroelectric polarization (FE) modes, e.g., tilting along x or y axis and polarization in z direction, as the origin for the best polarization property in this system. The identified cation ordering motifs and the exotic AFD-FE couplings could provide fresh ideas to design multifunctional perovskite heterostructures.

cond-mat.mtrl-sci↗