Xintian Cai
Current Organizations / Institutes
The organizations/institutes from the scholar's latest article
Previous Organizations / Institutes
The organizations / institutes from the scholar's other articles in the past ten years
Xintian Cai has a total of 63 co-authors. Here are the top co-authors by number of shared publications:
- Qing Peng
School of Power and Mechanical Engineering, Wuhan University, Wuhan 430072, China
5 shared publications - Chaoyue Ji
The Institute of Technological Sciences, Wuhan University, Wuhan 430072, China
4 shared publications - Sheng Liu
Wuhan University
4 shared publications - Gen Chen
State Key Laboratory of Nonlinear Mechanics, Institute of Mechanics, Chinese Academy of Sciences, Beijing 100190, China
3 shared publications Sheng Liu
School of Power and Mechanical Engineering Wuhan University Wuhan China
3 shared publications- Xiao-Jia Chen
School of Science, Harbin Institute of Technology, Shenzhen 518055, China
3 shared publications
Latest Publications
- 24 July 2026
- Published by Wiley in Laser & Photonics Reviews
- Vol. 20 (19) , e71549
Femtosecond Laser Etching for Microelectronic Chip Fabrication: Mechanisms, Applications, and Process Integration
Femtosecond laser etching has emerged as a powerful technique for high‐precision microelectronic chip fabrication, offering ultrafast processing speeds, minimal thermal effects, and exceptional spatial resolution. This paper systematically reviews key etching mechanisms, including laser‐induced backside wet/dry etching and hybrid additive‐subtractive approaches, and their dependence on laser–material interaction parameters. Representative applications in silicon micromachining, conductive path formation, microstructure fabrication, and advanced packaging are discussed. Technological developments in laser sources, beam shaping, motion control, and in situ process monitoring are also examined in the context of precision and scalability. Critical challenges such as surface roughness, thermal accumulation, and material selectivity are addressed through recent advances in ultrafast pulse engineering, process optimization, and intelligent feedback systems. Finally, this review outlines prospects for femtosecond laser etching in heterogeneous integration, MEMS, and quantum photonic systems, highlighting its pivotal role in next‐generation semiconductor manufacturing.
- 24 July 2026
- Published by Wiley in Laser & Photonics Reviews
- Vol. 20 (19) , e71549
Femtosecond Laser Etching for Microelectronic Chip Fabrication: Mechanisms, Applications, and Process Integration
Femtosecond laser etching has emerged as a powerful technique for high‐precision microelectronic chip fabrication, offering ultrafast processing speeds, minimal thermal effects, and exceptional spatial resolution. This paper systematically reviews key etching mechanisms, including laser‐induced backside wet/dry etching and hybrid additive‐subtractive approaches, and their dependence on laser–material interaction parameters. Representative applications in silicon micromachining, conductive path formation, microstructure fabrication, and advanced packaging are discussed. Technological developments in laser sources, beam shaping, motion control, and in situ process monitoring are also examined in the context of precision and scalability. Critical challenges such as surface roughness, thermal accumulation, and material selectivity are addressed through recent advances in ultrafast pulse engineering, process optimization, and intelligent feedback systems. Finally, this review outlines prospects for femtosecond laser etching in heterogeneous integration, MEMS, and quantum photonic systems, highlighting its pivotal role in next‐generation semiconductor manufacturing.
- Open Access
- 5 February 2026
- Published by MDPI AG in Nanomaterials
- Vol. 16 (3) , 207
Molecular Dynamics Study on the Mechanical Properties of Bilayer Silicon Carbide
The advent of bilayer silicon carbide as a critical two-dimensional material has opened up a range of potential applications in various fields. The field of nanoelectronics and nanomechanical systems is distinguished by its exceptional mechanical robustness, yet the combined effects of environmental and structural factors on its mechanical integrity remain poorly understood. Molecular dynamics simulations are used in this study to systematically examine the tensile response of bilayer SiC across a range of strain rates, temperatures, vacancy concentrations, and pre-existing crack lengths. Results indicate that mechanical properties converge at a system size of 18,144 atoms, ensuring computational efficiency. Increasing strain rate enhances strength and toughness by suppressing atomic relaxation, while elevated temperature induces thermal softening, reducing failure strain and strength by up to 50% at 900 K. Vacancy defects drastically degrade performance, with 3% concentration causing over 70% toughness loss, and crack propagation follows Griffith-type brittle fracture, where the zigzag direction exhibits superior resistance compared to the armchair orientation. These findings highlight the sensitivity of bilayer SiC to defects and environmental conditions, providing critical insights for designing reliable SiC-based nanodevices.
- 5 February 2026
- Published by MDPI AG in Nanomaterials
- Vol. 16 (3) , 207
Open AccessMolecular Dynamics Study on the Mechanical Properties of Bilayer Silicon Carbide
The advent of bilayer silicon carbide as a critical two-dimensional material has opened up a range of potential applications in various fields. The field of nanoelectronics and nanomechanical systems is distinguished by its exceptional mechanical robustness, yet the combined effects of environmental and structural factors on its mechanical integrity remain poorly understood. Molecular dynamics simulations are used in this study to systematically examine the tensile response of bilayer SiC across a range of strain rates, temperatures, vacancy concentrations, and pre-existing crack lengths. Results indicate that mechanical properties converge at a system size of 18,144 atoms, ensuring computational efficiency. Increasing strain rate enhances strength and toughness by suppressing atomic relaxation, while elevated temperature induces thermal softening, reducing failure strain and strength by up to 50% at 900 K. Vacancy defects drastically degrade performance, with 3% concentration causing over 70% toughness loss, and crack propagation follows Griffith-type brittle fracture, where the zigzag direction exhibits superior resistance compared to the armchair orientation. These findings highlight the sensitivity of bilayer SiC to defects and environmental conditions, providing critical insights for designing reliable SiC-based nanodevices.
- 19 April 2025
- Published by Elsevier in Computational Materials Science
- Vol. 254
Effects of strain rate, temperature, and defects on mechanical properties of xgraphene: Molecular dynamics study
- 19 April 2025
- Published by Elsevier in Computational Materials Science
- Vol. 254
Effects of strain rate, temperature, and defects on mechanical properties of xgraphene: Molecular dynamics study
- Open Access
- 27 December 2024
- Published by MDPI AG in Nanomaterials
- Vol. 15 (1) , 31
Atomistic Study on the Mechanical Properties of HOP–Graphene Under Variable Strain, Temperature, and Defect Conditions
HOP–graphene is a graphene structural derivative consisting of 5-, 6-, and 8-membered carbon rings with distinctive electrical properties. This paper presents a systematic investigation of the effects of varying sizes, strain rates, temperatures, and defects on the mechanical properties of HOP–graphene, utilizing molecular dynamics simulations. The results revealed that Young’s modulus of HOP–graphene in the armchair direction is 21.5% higher than that in the zigzag direction, indicating that it exhibits greater rigidity in the former direction. The reliability of the tensile simulations was contingent upon the size and strain rate. An increase in temperature from 100 K to 900 K resulted in a decrease in Young’s modulus by 7.8% and 2.9% for stretching along the armchair and zigzag directions, respectively. An increase in the concentration of introduced void defects from 0% to 3% resulted in a decrease in Young’s modulus by 24.7% and 23.1% for stretching along the armchair and zigzag directions, respectively. An increase in the length of rectangular crack defects from 0 nm to 4 nm resulted in a decrease in Young’s modulus for stretching along the armchair and zigzag directions by 6.7% and 5.7%, respectively. Similarly, an increase in the diameter of the circular hole defect from 0 nm to 4 nm resulted in a decrease in Young’s modulus along both the armchair and zigzag directions, with a corresponding reduction of 11.0% and 10.4%, respectively. At the late stage of tensile fracture along the zigzag direction, HOP–graphene undergoes a transformation to an amorphous state under tensile stress. Our results might contribute to a more comprehensive understanding of the mechanical properties of HOP–graphene under different test conditions, helping to land it in potential practical applications.
- 27 December 2024
- Published by MDPI AG in Nanomaterials
- Vol. 15 (1) , 31
Open AccessAtomistic Study on the Mechanical Properties of HOP–Graphene Under Variable Strain, Temperature, and Defect Conditions
HOP–graphene is a graphene structural derivative consisting of 5-, 6-, and 8-membered carbon rings with distinctive electrical properties. This paper presents a systematic investigation of the effects of varying sizes, strain rates, temperatures, and defects on the mechanical properties of HOP–graphene, utilizing molecular dynamics simulations. The results revealed that Young’s modulus of HOP–graphene in the armchair direction is 21.5% higher than that in the zigzag direction, indicating that it exhibits greater rigidity in the former direction. The reliability of the tensile simulations was contingent upon the size and strain rate. An increase in temperature from 100 K to 900 K resulted in a decrease in Young’s modulus by 7.8% and 2.9% for stretching along the armchair and zigzag directions, respectively. An increase in the concentration of introduced void defects from 0% to 3% resulted in a decrease in Young’s modulus by 24.7% and 23.1% for stretching along the armchair and zigzag directions, respectively. An increase in the length of rectangular crack defects from 0 nm to 4 nm resulted in a decrease in Young’s modulus for stretching along the armchair and zigzag directions by 6.7% and 5.7%, respectively. Similarly, an increase in the diameter of the circular hole defect from 0 nm to 4 nm resulted in a decrease in Young’s modulus along both the armchair and zigzag directions, with a corresponding reduction of 11.0% and 10.4%, respectively. At the late stage of tensile fracture along the zigzag direction, HOP–graphene undergoes a transformation to an amorphous state under tensile stress. Our results might contribute to a more comprehensive understanding of the mechanical properties of HOP–graphene under different test conditions, helping to land it in potential practical applications.
- Open Access
Assessment of Classical Force-Fields for Graphene Mechanics
The unique properties of graphene have attracted the interest of researchers from various fields, and the discovery of graphene has sparked a revolution in materials science, specifically in the field of two-dimensional materials. However, graphene synthesis’s costly and complex process significantly impairs researchers’ endeavors to explore its properties and structure experimentally. Molecular dynamics simulation is a well-established and useful tool for investigating graphene’s atomic structure and dynamic behavior at the nanoscale without requiring expensive and complex experiments. The accuracy of the molecular dynamics simulation depends on the potential functions. This work assesses the performance of various potential functions available for graphene in mechanical properties prediction. The following two cases are considered: pristine graphene and pre-cracked graphene. The most popular fifteen potentials have been assessed. Our results suggest that diverse potentials are suitable for various applications. REBO and Tersoff potentials are the best for simulating monolayer pristine graphene, and the MEAM and the AIREBO-m potentials are recommended for those with crack defects because of their respective utilization of the electron density and inclusion of the long-range interaction. We recommend the AIREBO-m potential for a general case of classical molecular dynamics study. This work might help to guide the selection of potentials for graphene simulations and the development of further advanced interatomic potentials.
Open AccessAssessment of Classical Force-Fields for Graphene Mechanics
The unique properties of graphene have attracted the interest of researchers from various fields, and the discovery of graphene has sparked a revolution in materials science, specifically in the field of two-dimensional materials. However, graphene synthesis’s costly and complex process significantly impairs researchers’ endeavors to explore its properties and structure experimentally. Molecular dynamics simulation is a well-established and useful tool for investigating graphene’s atomic structure and dynamic behavior at the nanoscale without requiring expensive and complex experiments. The accuracy of the molecular dynamics simulation depends on the potential functions. This work assesses the performance of various potential functions available for graphene in mechanical properties prediction. The following two cases are considered: pristine graphene and pre-cracked graphene. The most popular fifteen potentials have been assessed. Our results suggest that diverse potentials are suitable for various applications. REBO and Tersoff potentials are the best for simulating monolayer pristine graphene, and the MEAM and the AIREBO-m potentials are recommended for those with crack defects because of their respective utilization of the electron density and inclusion of the long-range interaction. We recommend the AIREBO-m potential for a general case of classical molecular dynamics study. This work might help to guide the selection of potentials for graphene simulations and the development of further advanced interatomic potentials.
- Open Access
Molecular Dynamics Insights into Mechanical Stability, Elastic Properties, and Fracture Behavior of PHOTH-Graphene
PHOTH-graphene is a newly predicted 2D carbon material with a low-energy structure. However, its mechanical stability and fracture properties are still elusive. The mechanical stability, elastic, and fracture properties of PHOTH-graphene were investigated using classical molecular dynamics (MD) simulations equipped with REBO potential in this study. The influence of orientation and temperature on mechanical properties was evaluated. Specifically, the Young’s modulus, toughness, and ultimate stress and strain varied by −26.14%, 36.46%, 29.04%, and 25.12%, respectively, when comparing the armchair direction to the zigzag direction. The percentage reduction in ultimate stress, ultimate strain, and toughness of the material in both directions after a temperature increase of 1000 K (from 200 K to 1200 K) ranged from 56.69% to 91.80%, and the Young’s modulus was reduced by 13.63% and 7.25% in both directions, respectively, with Young’s modulus showing lower sensitivity. Defects usually weaken the material’s strength, but adding random point defects in the range of 3% to 5% significantly increases the ultimate strain of the material. Furthermore, hydrogen atom adsorption induces crack expansion to occur earlier, and the crack tip without hydrogen atom adsorption just began to expand when the strain was 0.135, while the crack tip with hydrogen atom adsorption had already undergone significant expansion. This study provides a reference for the possible future practical application of PHOTH-graphene in terms of mechanical properties and fracture failure.
Open AccessMolecular Dynamics Insights into Mechanical Stability, Elastic Properties, and Fracture Behavior of PHOTH-Graphene
PHOTH-graphene is a newly predicted 2D carbon material with a low-energy structure. However, its mechanical stability and fracture properties are still elusive. The mechanical stability, elastic, and fracture properties of PHOTH-graphene were investigated using classical molecular dynamics (MD) simulations equipped with REBO potential in this study. The influence of orientation and temperature on mechanical properties was evaluated. Specifically, the Young’s modulus, toughness, and ultimate stress and strain varied by −26.14%, 36.46%, 29.04%, and 25.12%, respectively, when comparing the armchair direction to the zigzag direction. The percentage reduction in ultimate stress, ultimate strain, and toughness of the material in both directions after a temperature increase of 1000 K (from 200 K to 1200 K) ranged from 56.69% to 91.80%, and the Young’s modulus was reduced by 13.63% and 7.25% in both directions, respectively, with Young’s modulus showing lower sensitivity. Defects usually weaken the material’s strength, but adding random point defects in the range of 3% to 5% significantly increases the ultimate strain of the material. Furthermore, hydrogen atom adsorption induces crack expansion to occur earlier, and the crack tip without hydrogen atom adsorption just began to expand when the strain was 0.135, while the crack tip with hydrogen atom adsorption had already undergone significant expansion. This study provides a reference for the possible future practical application of PHOTH-graphene in terms of mechanical properties and fracture failure.
- Open Access
- 31 August 2024
- Published by MDPI AG in Nanomaterials
- Vol. 14 (17) , 1423
Description of Short-Range Interactions of Carbon-Based Materials with a Combined AIREBO and ZBL Potential
An accurate description of short-range interactions among atoms is crucial for simulating irradiation effects in applications related to ion modification techniques. A smooth integration of the Ziegler–Biersack–Littmark (ZBL) potential with the adaptive intermolecular reactive empirical bond-order (AIREBO) potential was achieved to accurately describe the short-range interactions for carbon-based materials. The influence of the ZBL connection on potential energy, force, and various AIREBO components, including reactive empirical bond-order (REBO), Lennard–Jones (LJ), and the torsional component, was examined with configurations of the dimer structure, tetrahedron structure, and monolayer graphene. The REBO component is primarily responsible for the repulsive force, while the LJ component is mainly active in long-range interactions. It is shown that under certain conditions, the torsional energy can lead to a strong repulsive force at short range. Molecular dynamics simulations were performed to study the collision process in configurations of the C-C dimer and bulk graphite. Cascade collisions in graphite with kinetic energies of 1 keV and 10 keV for primary knock-on atoms showed that the short-range description can greatly impact the number of generated defects and their morphology.
- 31 August 2024
- Published by MDPI AG in Nanomaterials
- Vol. 14 (17) , 1423
Open AccessDescription of Short-Range Interactions of Carbon-Based Materials with a Combined AIREBO and ZBL Potential
An accurate description of short-range interactions among atoms is crucial for simulating irradiation effects in applications related to ion modification techniques. A smooth integration of the Ziegler–Biersack–Littmark (ZBL) potential with the adaptive intermolecular reactive empirical bond-order (AIREBO) potential was achieved to accurately describe the short-range interactions for carbon-based materials. The influence of the ZBL connection on potential energy, force, and various AIREBO components, including reactive empirical bond-order (REBO), Lennard–Jones (LJ), and the torsional component, was examined with configurations of the dimer structure, tetrahedron structure, and monolayer graphene. The REBO component is primarily responsible for the repulsive force, while the LJ component is mainly active in long-range interactions. It is shown that under certain conditions, the torsional energy can lead to a strong repulsive force at short range. Molecular dynamics simulations were performed to study the collision process in configurations of the C-C dimer and bulk graphite. Cascade collisions in graphite with kinetic energies of 1 keV and 10 keV for primary knock-on atoms showed that the short-range description can greatly impact the number of generated defects and their morphology.
- Open Access
Electromagnetic-Thermal Coupling Study for RF Compression Cavity Applied to Ultrafast Electron Diffraction
Ultrafast electron diffraction (UED) is a powerful tool for observing the evolution of transient structures at the atomic level. However, temporal resolution is a huge challenge for UEDs, mainly depending on the pulse duration. Unfortunately, the Coulomb force between electrons causes the pulse duration to increase continually when propagating, reducing the temporal resolution. In this paper, we theoretically design a radio frequency (RF) compression cavity using the finite-element method of electromagnetic–thermal coupling to overcome this limitation and obtain a high-brightness, short-pulse-duration, and stable electron beam. In addition, the cavity’s size parameters are optimized, and a water-cooling system is designed to ensure stable operation. To the best of our knowledge, this is the first time that the electromagnetic–thermal coupling method has been used to study the RF cavity applied to UED. The results show that the RF cavity operates in TM010 mode with a resonant frequency of 2970 MHz and generates a resonant electric field. This mode of operation generates an electric field that varies periodically and transiently, compressing the electronic pulse duration. The electromagnetic–thermal coupling method proposed in this study effectively improves the temporal resolution of UED.
Open AccessElectromagnetic-Thermal Coupling Study for RF Compression Cavity Applied to Ultrafast Electron Diffraction
Ultrafast electron diffraction (UED) is a powerful tool for observing the evolution of transient structures at the atomic level. However, temporal resolution is a huge challenge for UEDs, mainly depending on the pulse duration. Unfortunately, the Coulomb force between electrons causes the pulse duration to increase continually when propagating, reducing the temporal resolution. In this paper, we theoretically design a radio frequency (RF) compression cavity using the finite-element method of electromagnetic–thermal coupling to overcome this limitation and obtain a high-brightness, short-pulse-duration, and stable electron beam. In addition, the cavity’s size parameters are optimized, and a water-cooling system is designed to ensure stable operation. To the best of our knowledge, this is the first time that the electromagnetic–thermal coupling method has been used to study the RF cavity applied to UED. The results show that the RF cavity operates in TM010 mode with a resonant frequency of 2970 MHz and generates a resonant electric field. This mode of operation generates an electric field that varies periodically and transiently, compressing the electronic pulse duration. The electromagnetic–thermal coupling method proposed in this study effectively improves the temporal resolution of UED.
- Open Access
Effects of Atomic Ratio on the Mechanical Properties of Amorphous Silicon Carbon Nitride
This paper evaluates the mechanical properties of amorphous silicon carbon nitride (a-SiCN) films with different atomic ratios via molecular dynamics simulation. The Si-C-N ternary amorphous model is constructed using ReaxFF potential and melt-quenching method. The results demonstrate that the density range of constructed model spans a wide range of densities (2.247–2.831 g/cm3). The short- and medium-range order of the constructed a-SiCN structures show a good correlation with the experimental observations. Based on the structural feasibility, the elastoplastic performance is analyzed. There is significant ductility during the uniaxial tension process of a-SiCN, except for Si(CN). The calculated elastic modulus ranges from 206.80 GPa to 393.58 GPa, close to the experimental values of coating films. In addition, the elastic modulus of a-SiCN does not change monotonically with the carbon or silicon content but is related to the atomic ratio. This article provides an understanding of the chemical composition dependence of the mechanical properties of amorphous compounds at the molecular level.Open AccessEffects of Atomic Ratio on the Mechanical Properties of Amorphous Silicon Carbon Nitride
This paper evaluates the mechanical properties of amorphous silicon carbon nitride (a-SiCN) films with different atomic ratios via molecular dynamics simulation. The Si-C-N ternary amorphous model is constructed using ReaxFF potential and melt-quenching method. The results demonstrate that the density range of constructed model spans a wide range of densities (2.247–2.831 g/cm3). The short- and medium-range order of the constructed a-SiCN structures show a good correlation with the experimental observations. Based on the structural feasibility, the elastoplastic performance is analyzed. There is significant ductility during the uniaxial tension process of a-SiCN, except for Si(CN). The calculated elastic modulus ranges from 206.80 GPa to 393.58 GPa, close to the experimental values of coating films. In addition, the elastic modulus of a-SiCN does not change monotonically with the carbon or silicon content but is related to the atomic ratio. This article provides an understanding of the chemical composition dependence of the mechanical properties of amorphous compounds at the molecular level. - 5 August 2022
- Published by Elsevier in Computational Materials Science
- Vol. 214
Ultrafast processes simulation under femtosecond laser irradiation of Gallium Nitride thin films
- 5 August 2022
- Published by Elsevier in Computational Materials Science
- Vol. 214
Ultrafast processes simulation under femtosecond laser irradiation of Gallium Nitride thin films