arXiv subjects

Junfeng Gao

Publications and source records attributed to Junfeng Gao.

At least 19 recordsLinked to original sources

arXiv2025

From cluster to nanocrystal: the continuous evolution and critical size of copper clusters revealed by machine learning

The evolution of cluster structure with size and the critical size for the transition from cluster to nanocrystal have long been fundamental problems in nanoscience. Due to limitations of experimental technology and computational methods, the exploration of the continuous evolution of clusters towards nanocrystal is still a big challenge. Here, we proposed a machine learning force field (MLFF) that can generalize well to various copper systems ranging from small clusters to large clusters and bulk. The continuous evolution of copper clusters CuN towards nanocrystal was revealed by investigating clusters in a wide size range (7 <= N <= 17885) based on MLFF simulated annealing. For small CuN (N < 40), electron counting rule plays a major role in stability. For large CuN (N > 80), geometric magic number rule plays a dominant role and the evolution of clusters is based on the formation of more and more icosahedral shells. For medium size CuN (40 <= N <= 80), both rules contribute. The critical size from cluster to nanocrystal was calculated to be around 8000 atoms (about 6 nm in diameter). Our work terminates the long-term challenge in nanoscience, and lay the methodological foundation for subsequent research on other cluster systems.

cond-mat.mtrl-sci↗

arXiv2025

Exciton-Polariton hybrid skin-topological states

The non Hermitian skin effect, where bulk states accumulate at system boundaries, challenges the conventional bulk boundary correspondence. Here we propose a scheme to realize hybrid skin topological states in exciton polariton honeycomb lattices by introducing sublattice dependent gain and loss. This non Hermiticity couples with the intrinsic topological edge modes, leading to relocalization of edge states. We show two distinct regimes: hybrid skin Chern states with switchable localization controlled by TE TM splitting , and hybrid skin antichiral states which preserves the spin polarized property. Our results bridge polariton spin physics and non-Hermitian topology, opening routes toward controllable non reciprocal and spin polarized transport.

cond-mat.mes-hall↗

arXiv2025

Understanding the atomically precise evolution of the miscibility of newly prepared face-centered cubic W-Cu nanoalloys and its asymmetry

According to classical Miedema theory, reducing crystals to the order of nanometer sizes might greatly modulate the mixing enthalpy of elements, thus enabling the invention of a lot of new bulk-immiscible alloys. Although numerous alloys with higher mixing enthalpies remain unexplored, this strategy is approaching its limit, as reflected by the critical diameter of recent alloys of 1.8 nm, which corresponds to ~150 atoms and hardly provides a crystalline order. Future development requires not only even smaller atomic-scale control but also a new surface energy-saving mechanism. Here, we report the formation of W-Cu nanoalloys with a very large miscibility gap in the bulk via the use of an atomically size-selected cluster beam source as an example. The face-centered cubic (FCC) structure was demonstrated through electron diffraction, which indicated a lattice constant of 3.88{\AA} for W0.85Cu0.15 nanoalloys (~2280 atoms). In this comprehensive study that covers a large parameter space of W/Cu compositions and numbers of atoms, an asymmetric miscibility nanophase diagram in which W-rich compositions favor mixing and the critical size is approximately 6000 atoms, which far exceeds the approximately tens of atoms predicted via classical theory, was obtained for the first time. Density functional theory (DFT) calculations revealed a mutual strain-induced mechanism that simultaneously lowers the surface energies while reducing the size to the atomic scale. This approach paves the way for the development of new high-performance nonequilibrium phase alloys.

cond-mat.mtrl-sci↗

arXiv2025

Preferred Synthesis of Armchair Transition Metal Dichalcogenide Nanotubes

In this work, we present the synthesis of transition-metal dichalcogenide (TMDC) nanotubes with a preferred chiral angle. SnS2, MoS2, and WS2 are formed with high yield and structural purity inside the channels of boron nitride nanotubes. Atomic-resolution imaging, nano-area electron diffraction, and Circular Dichroism spectroscopy reveal that these synthesized TMDC nanotubes prefer to have an armchair configuration, with a probability up to 84%. Density functional theory reveals a negligible difference in the formation energy between armchair and zigzag nanotubes, suggesting that the chirality preference does not originate from the differences in structural stability. However, a detailed TEM investigation revealed that these TMDC nanotubes formed via a transition state of nanoribbons, and these nanoribbons are energetically more stable in a zigzag configuration. Subsequent machine learning potential molecular dynamics simulations verify that zigzag nanoribbons do roll up to form an armchair SnS2 nanotubes. Finally, this "zigzag nanoribbon to armchair nanotube" transition process is directly observed in real time by in-situ transmission electron microscopy. This work demonstrates the first, but likely general, experimental strategy for synthesizing chirality-preferred TMDC nanotubes.

cond-mat.mtrl-sci↗

arXiv2025

Copper Vapor Catalyzing Role in the Growth of Graphene

Cu is most used substrate to grow monolayer graphene under a temperature near melting point. In this study, we elaborated a remarkable amount of Cu clusters were continuously evaporated during the graphene growth, resulting into the vapor pressure comparable with the CH4. Importantly, the decomposition barrier of CH4 on Cu clusters is similar or even lower than on Cu surface. CuCH4 serves as the primary active cluster in complex intermediates, exhibiting a growth-promoting effect. Particularly after the first graphene layer coverage, it may emerge as a dominant catalytic factor for multilayer growth by supplying critical growth species. Through controlled seed incorporation, this mechanism is expected to enable large-area controllable growth of bilayer and multilayer graphene structures.

cond-mat.mtrl-sci↗

arXiv2024

Harnessing Large Vision and Language Models in Agriculture: A Review

Large models can play important roles in many domains. Agriculture is another key factor affecting the lives of people around the world. It provides food, fabric, and coal for humanity. However, facing many challenges such as pests and diseases, soil degradation, global warming, and food security, how to steadily increase the yield in the agricultural sector is a problem that humans still need to solve. Large models can help farmers improve production efficiency and harvest by detecting a series of agricultural production tasks such as pests and diseases, soil quality, and seed quality. It can also help farmers make wise decisions through a variety of information, such as images, text, etc. Herein, we delve into the potential applications of large models in agriculture, from large language model (LLM) and large vision model (LVM) to large vision-language models (LVLM). After gaining a deeper understanding of multimodal large language models (MLLM), it can be recognized that problems such as agricultural image processing, agricultural question answering systems, and agricultural machine automation can all be solved by large models. Large models have great potential in the field of agriculture. We outline the current applications of agricultural large models, and aims to emphasize the importance of large models in the domain of agriculture. In the end, we envisage a future in which famers use MLLM to accomplish many tasks in agriculture, which can greatly improve agricultural production efficiency and yield.

cs.CV↗

arXiv2024

Cluster Sliding Ferroelectricity in Trilayer Quasi-Hexagonal C$_{60}$

Electric polarization typically originates from non-centrosymmetric charge distributions in compounds. In elemental crystalline materials, chemical bonds between atoms of the same element favor symmetrically distributed electron charges and centrosymmetric structures, making elemental ferroelectrics rare. Compared to atoms, elemental clusters are intrinsically less symmetric and can have various preferred orientations when they are assembled to form crystals. Consequently, the assembly of clusters with different orientations tends to break the inversion symmetry. By exploiting this concept, we show that sliding ferroelectricity naturally emerges in trilayer quasi-hexagonal phase (qHP) C$_{60}$, a cluster-assembled carbon allotrope recently synthesized. Compared to many metallic or semi-metallic elemental ferroelectrics, trilayer qHP C$_{60}$'s have sizable band gaps and several ferroelectric structures, which are distinguishable by measuring their second-harmonic generation (SHG) responses. Some of these phases show both switchable out-of-plane and in-plane polarizations on the order of 0.2 pC/m. The out-of-plane and in-plane polarizations can be switched independently and enable an easy-to-implement construction of Van der Waals homostructures with ferroelectrically switchable chirality.

cond-mat.mtrl-sci↗

arXiv2024

A Vision-Based Navigation System for Arable Fields

Vision-based navigation systems in arable fields are an underexplored area in agricultural robot navigation. Vision systems deployed in arable fields face challenges such as fluctuating weed density, varying illumination levels, growth stages and crop row irregularities. Current solutions are often crop-specific and aimed to address limited individual conditions such as illumination or weed density. Moreover, the scarcity of comprehensive datasets hinders the development of generalised machine learning systems for navigating these fields. This paper proposes a suite of deep learning-based perception algorithms using affordable vision sensors for vision-based navigation in arable fields. Initially, a comprehensive dataset that captures the intricacies of multiple crop seasons, various crop types, and a range of field variations was compiled. Next, this study delves into the creation of robust infield perception algorithms capable of accurately detecting crop rows under diverse conditions such as different growth stages, weed density, and varying illumination. Further, it investigates the integration of crop row following with vision-based crop row switching for efficient field-scale navigation. The proposed infield navigation system was tested in commercial arable fields traversing a total distance of 4.5 km with average heading and cross-track errors of 1.24° and 3.32 cm respectively.

cs.RO↗

arXiv2024

Intermediates of Forming Transition Metal Dichalcogenide Heterostructures Revealed by Machine Learning Simulations

Two-dimensional (2D) transition metal dichalcogenide (TMD) van der Waals heterostructures (vdWHs) hold promise for high-performance electronics, but their large-scale synthesis remains limited by size constraints and alloying contaminations. Recently, a two-step vapor deposition method was reported for growing wafer-size TMD vdWHs with minimal impurities. In this study, we develop a machine learning potential (MLP) that accurately captures the atomic-scale dynamic growth process of bilayer MoS$_2$/WS$_2$ vdWHs under feasible growth conditions. Our simulations uncover a crucial metastable SMMS (M = Mo or W) intermediate structure that facilitates metal atom swap and alloying. Eliminating the alloying contamination requires preventing the embedding of bare metal atoms. The results also show that the SMMS structure exhibits favourable electronic properties and emerges as a low Schottky barrier contact electrode for MoS$_2$ field-effect transistors (FETs).

cond-mat.mtrl-sci↗

arXiv2024

Multispectral Fine-Grained Classification of Blackgrass in Wheat and Barley Crops

As the burden of herbicide resistance grows and the environmental costs of excessive herbicide use become clear, new approaches to managing weed populations are needed. This is particularly true for cereal crops, like wheat and barley, that are staple foods and occupy a globally significant share of farmland. Even modest advances in weed management practices across these crops could deliver major benefits for both the environment and food security. Blackgrass is a major grass weed which causes particular problems in cereal crops in north-west Europe, a major cereal production area, because it has high levels of herbicide resistance. Detecting blackgrass is also difficult due to its similarity to cereals. Yet, a systematic review of the literature on weed recognition in wheat and barley, included in this study, highlights that blackgrass - and grass weeds more broadly - have received less research attention compared to certain broadleaf weeds. With the use of machine vision and multispectral imaging, we investigate the effectiveness of state-of-the-art methods to identify blackgrass in wheat and barley crops. As part of this work, we present the Eastern England Blackgrass Dataset, a large dataset with which we evaluate several key aspects of blackgrass weed recognition. Firstly, we determine the performance of different CNN and transformer-based architectures on images from unseen fields. Secondly, we demonstrate the role that different spectral bands have on the performance of weed classification. Lastly, we evaluate the role of dataset size in classification performance for each of the models trialled. All models tested achieved an accuracy greater than 80%. Our best model achieved 89.6% and that only half the training data was required to achieve this performance. Our dataset is available at: https://lcas.lincoln.ac.uk/wp/research/data-sets-software/eastern-england-blackgrass-dataset .

cs.CV↗

arXiv2024

On-liquid-gallium surface synthesis of ultra-smooth conductive metal-organic framework thin films

Conductive metal-organic frameworks (MOFs) are emerging electroactive materials for (opto-)electronics. However, it remains a great challenge to achieve reliable MOF-based devices via the existing synthesis methods that are compatible with the complementary metal-oxide-semiconductor technology, as the surface roughness of thus-far synthetic MOF films or pellets is rather high for efficient electrode contact. Here, we develop an on-liquid-gallium surface synthesis (OLGSS) strategy under chemical vapor deposition (CVD) conditions for the controlled growth of two-dimensional conjugated MOF (2D c-MOF) thin films with ten-fold improvement of surface flatness (surface roughness can reach as low as ~2 Å) compared with MOF films grown by the traditional methods. Supported by theoretical modeling, we unveil a layer-by-layer CVD growth mode for constructing flattening surfaces, that is triggered by the high adhesion energy between gallium (Ga) and planar aromatic ligands. We further demonstrate the generality of the as-proposed OLGSS strategy by reproducing such a flat surface over nine different 2D c-MOF films with variable thicknesses (~2 to 208 nm) and large lateral sizes (over 1 cm2). The resultant ultra-smooth 2D c-MOF films enable the formation of high-quality electrical contacts with gold (Au) electrodes, leading to a reduction of contact resistance by over ten orders of magnitude compared to the traditional uneven MOF films. Furthermore, due to the efficient interfacial interaction benifited from the high-quality contacts, the prepared van der Waals heterostructure (vdWH) of OLGSS c-MOF and MoS2 exhibits intriguing photoluminescence (PL) enhancement, PL peak shift and large work function modulation. The establishment of the reliable OLGSS method provides the chances to push the development of MOF electronics and the construction of multicomponent MOF-based heterostructure materials.

physics.app-ph↗

arXiv2024

PLLaMa: An Open-source Large Language Model for Plant Science

Large Language Models (LLMs) have exhibited remarkable capabilities in understanding and interacting with natural language across various sectors. However, their effectiveness is limited in specialized areas requiring high accuracy, such as plant science, due to a lack of specific expertise in these fields. This paper introduces PLLaMa, an open-source language model that evolved from LLaMa-2. It's enhanced with a comprehensive database, comprising more than 1.5 million scholarly articles in plant science. This development significantly enriches PLLaMa with extensive knowledge and proficiency in plant and agricultural sciences. Our initial tests, involving specific datasets related to plants and agriculture, show that PLLaMa substantially improves its understanding of plant science-related topics. Moreover, we have formed an international panel of professionals, including plant scientists, agricultural engineers, and plant breeders. This team plays a crucial role in verifying the accuracy of PLLaMa's responses to various academic inquiries, ensuring its effective and reliable application in the field. To support further research and development, we have made the model's checkpoints and source codes accessible to the scientific community. These resources are available for download at \url{https://github.com/Xianjun-Yang/PLLaMa}.

cs.CL↗

arXiv2023

Stability and superconductivity of freestanding two-dimensional transition metal boridene: M4/3B2

The small atomic mass of boron indicates strong electron-phonon coupling, so it may have a brilliant performance in superconductivity. Recently, a new 2D boride sheet with ordered metal vacancies and surface terminals (Mo4/3B2-x) was realized in experiments (Science 2021, 373, 801). Here, the 2D monolayer freestanding Mo4/3B2is evidenced to be thermodynamically stable. Through electronic structure, phonon spectrum and electron-phonon coupling, monolayer Mo4/3B2 is found to be an intrinsic phonon-mediated superconductor. The superconducting transition temperature (Tc) is determined to be 4.06 K by the McMillian-Allen-Dynes formula. Remarkably, the Tc of monolayer Mo4/3B2 can be increased to 6.78 K with an appropriate biaxial tensile strain (+5%). Moreover, we predict that other transition metal replacing Mo atoms is also stable and retaining the superconductivity. Such as monolayer W4/3B2 is also a superconductor with the Tc of 2.37 K. Our research results enrich the database of 2D monolayer superconductors and boron-related formed materials science.

cond-mat.supr-con↗

arXiv2023

Sumanene monolayer of pure carbon: a two-dimensional Kagome-analogy lattice with desirable band gap, ultrahigh carrier mobility and strong exciton binding energy

Design and synthesis of novel two-dimensional (2D) materials that possess robust structural stability and unusual physical properties may open up enormous opportunities for device and engineering applications. Herein we propose a 2D sumanene lattice that be regarded as a derivative of the conventional Kagome lattice. Our tight-binding analysis demonstrates sumanene lattice contains two sets of Dirac cones and two sets of flat bands near the Fermi surface, distinctively different from the Kagome lattice. Using first-principles calculations, we theoretically suggest two possible routines for realization of stable 2D sumanene monolayers (named as a phase and b phase), and a-sumanene monolayer can be experimentally synthesized with chemical vapor deposition using C21H12 as a precursor. Small binding energies on Au(111) surface signify the possibility of their peel-off after grown on the noble metal substrate. Importantly, our GW plus Bethe-Salpeter equation calculations demonstrate both monolayers have moderate band gaps (1.94 eV for a) and ultrahigh carrier mobilities (3.4*104 cm2/Vs for a). In particular, a-sumanene monolayer possesses a strong exciton binding energy of 0.73 eV, suggesting potential applications in optics.

cond-mat.mtrl-sci↗

arXiv2023

Excellent HER and OER Catalyzing Performance of Se-vacancies in Defects-engineering PtSe2: From Simulation to Experiment

Facing with grave climate change and enormous energy demand, catalyzer gets more and more important due to its significant effect on reducing fossil fuels consumption. Hydrogen evolution reaction (HER) and oxygen evolution reaction (OER) by water splitting are feasible ways to produce clean sustainable energy. Here we systematically explored atomic structures and related STM images of Se defects in PtSe2. The equilibrium fractions of vacancies under variable conditions were detailly predicted. Besides, we found the vacancies are highly kinetic stable, without recovering or aggregation. The Se vacancies in PtSe2 can dramatically enhance the HER performance, comparing with, even better than Pt(111). Beyond, we firstly revealed that PtSe2 monolayer with Se vacancies is also a good OER catalyst. The excellent bipolar catalysis of Se vacancies were further confirmed by experimental measurements. We produced defective PtSe2 by direct selenization of Pt foil at 773 K using a CVD process. Then we observed the HER and OER performance of defective PtSe2 is much highly efficient than Pt foils by a series of measurements. Our work with compelling theoretical and experimental studies indicates PtSe2 with Se defects is an ideal bipolar candidate for HER and OER.

cond-mat.mtrl-sci↗

arXiv2023

Robust Sandwiched B/TM/B Structures by Metal Intercalating into Bilayer Borophene Leading to Excellent Hydrogen Evolution Reaction

Bilayer borophene, very recently synthesized on Ag and Cu, possesses extremely flat large surface and excellent conductivity. Besides, the van der Waals gap of bilayer borophene can be intercalated by metal atoms, thereby tailoring the properties of bilayer borophene. Herein, we propose that sandwiched B/TM/B (TM=Co, Ni, Cu, Pd) could be a new 2D formation by transiton metal atoms intercalated into bilayer borophene network, it is quiet robust with both energetic, structural and thermal stability, and exhibits heat resistance of at least 1300 K. Besides, it is novel platform for electrocatalytic hydrogen evolution reaction (HER). The interecalation metal atom serves as single-atomic catalyst, which acting the nonmetal boron layers. Beyond that, the transtion metal is protected by outside boron layers from being corroded by acidic/alkaline solution. B/Cux/B, B/Pdx/B and B/Alx/B with different metal coverage exhibit defect-independent extremely low HER free energy in the range of -0.162 ~ 0.179 eV, -0.134 ~ 0.183 eV and -0.082 ~ 0.086 eV which are comparable to noble metal Pt. Combining excellent conduction, high structural and thermal stability, low resistance to intercalated behaviour, effortless water splitting process, excellent defect-independent catalytic performance, cheapness and abundance of raw materials, free of corrodation, 2D sandwiched B/TM/B (TM=Co, Ni, Cu, Pd) is believed to promising for electrocatalytic HER applications.

cond-mat.mtrl-sci↗

arXiv2023

Deep learning-based Crop Row Detection for Infield Navigation of Agri-Robots

Autonomous navigation in agricultural environments is challenged by varying field conditions that arise in arable fields. State-of-the-art solutions for autonomous navigation in such environments require expensive hardware such as RTK-GNSS. This paper presents a robust crop row detection algorithm that withstands such field variations using inexpensive cameras. Existing datasets for crop row detection does not represent all the possible field variations. A dataset of sugar beet images was created representing 11 field variations comprised of multiple grow stages, light levels, varying weed densities, curved crop rows and discontinuous crop rows. The proposed pipeline segments the crop rows using a deep learning-based method and employs the predicted segmentation mask for extraction of the central crop using a novel central crop row selection algorithm. The novel crop row detection algorithm was tested for crop row detection performance and the capability of visual servoing along a crop row. The visual servoing-based navigation was tested on a realistic simulation scenario with the real ground and plant textures. Our algorithm demonstrated robust vision-based crop row detection in challenging field conditions outperforming the baseline.

cs.CV↗

arXiv2023

Developing a Hybrid Convolutional Neural Network for Automatic Aphid Counting in Sugar Beet Fields

Aphids can cause direct damage and indirect virus transmission to crops. Timely monitoring and control of their populations are thus critical. However, the manual counting of aphids, which is the most common practice, is labor-intensive and time-consuming. Additionally, two of the biggest challenges in aphid counting are that aphids are small objects and their density distributions are varied in different areas of the field. To address these challenges, we proposed a hybrid automatic aphid counting network architecture which integrates the detection network and the density map estimation network. When the distribution density of aphids is low, it utilizes an improved Yolov5 to count aphids. Conversely, when the distribution density of aphids is high, it switches to CSRNet to count aphids. To the best of our knowledge, this is the first framework integrating the detection network and the density map estimation network for counting tasks. Through comparison experiments of counting aphids, it verified that our proposed approach outperforms all other methods in counting aphids. It achieved the lowest MAE and RMSE values for both the standard and high-density aphid datasets: 2.93 and 4.01 (standard), and 34.19 and 38.66 (high-density), respectively. Moreover, the AP of the improved Yolov5 is 5% higher than that of the original Yolov5. Especially for extremely small aphids and densely distributed aphids, the detection performance of the improved Yolov5 is significantly better than the original Yolov5. This work provides an effective early warning caused by aphids in sugar beet fields, offering protection for sugar beet growth and ensuring sugar beet yield. The datasets and project code are released at: https://github.com/JunfengGaolab/Counting-Aphids.

cs.CV↗