Mehrdad Khakbiz , Mohammad R. Shahmoradi , Farshad Akhlaghi , Kimia Soroush
{"title":"基于ai增强的支持向量机框架的纳米颗粒尺寸和表面纳米形貌分析","authors":"Mehrdad Khakbiz , Mohammad R. Shahmoradi , Farshad Akhlaghi , Kimia Soroush","doi":"10.1016/j.partic.2025.07.017","DOIUrl":null,"url":null,"abstract":"<div><div>This study presents a machine learning-based approach using Support Vector Machines (SVM) to model the particle size distribution (PSD) and predict surface characteristics of Al-B<sub>4</sub>C nanocomposite powders synthesized through high-energy ball milling. Two SVM kernels, Polynomial and Radial Basis Function (RBF), were applied to simulate PSD curves and surface morphology, with experimental validation conducted via laser particle size analysis and scanning electron microscopy (SEM). The models demonstrated strong predictive capabilities, achieving R<sup>2</sup> values between 0.91 and 0.99 and cross-validation coefficients (q<sup>2</sup>) from 0.93 to 0.99. Normal distribution models yielded lower RMSE values (0.11–2.13) compared to cumulative distribution models (4.34–6.55), indicating higher precision in modeling. SEM analysis revealed morphological transitions during milling, with particles evolving from spherical to fragmented shapes after 4 h. Surface metrics including roughness, waviness, and isotropy were quantified, showing that isotropy decreased from 82.48 % at 0 h to 57.69 % at 4 h due to directional deformation, then partially recovered to 62.50 % at 10 h. Gaussian Process Regression (GPR) showed strong alignment with experimental surface trends and accurately predicted nanoscale topographic parameters. Response Surface Methodology (RSM) was employed to visualize size reduction behavior for B<sub>4</sub>C particles with initial sizes of 90, 700, and 1200 nm. For 700 nm particles, size reduction stabilized beyond 10 h, while 90 nm particles exhibited rapid refinement within the first 5–10 h. In contrast, 1200 nm particles showed slower, continuous reduction requiring >15 h of milling. SVM models successfully captured these nonlinear trends, with minor underestimations at intermediate time points. RSM plots for aluminum particle sizes (21 and 71 μm) revealed that Al-21 led to stable and uniform distributions, whereas Al-71 exhibited nonlinear behavior with volume percentage drops under specific conditions. These findings confirm that SVM and GPR are robust tools for modeling PSD and surface evolution in ball-milled nanoparticles.</div></div>","PeriodicalId":401,"journal":{"name":"Particuology","volume":"106 ","pages":"Pages 156-173"},"PeriodicalIF":4.3000,"publicationDate":"2025-07-28","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":"{\"title\":\"AI-enhanced support vector machine framework for nanoparticle size and surface nanotopography analysis\",\"authors\":\"Mehrdad Khakbiz , Mohammad R. Shahmoradi , Farshad Akhlaghi , Kimia Soroush\",\"doi\":\"10.1016/j.partic.2025.07.017\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"<div><div>This study presents a machine learning-based approach using Support Vector Machines (SVM) to model the particle size distribution (PSD) and predict surface characteristics of Al-B<sub>4</sub>C nanocomposite powders synthesized through high-energy ball milling. Two SVM kernels, Polynomial and Radial Basis Function (RBF), were applied to simulate PSD curves and surface morphology, with experimental validation conducted via laser particle size analysis and scanning electron microscopy (SEM). The models demonstrated strong predictive capabilities, achieving R<sup>2</sup> values between 0.91 and 0.99 and cross-validation coefficients (q<sup>2</sup>) from 0.93 to 0.99. Normal distribution models yielded lower RMSE values (0.11–2.13) compared to cumulative distribution models (4.34–6.55), indicating higher precision in modeling. SEM analysis revealed morphological transitions during milling, with particles evolving from spherical to fragmented shapes after 4 h. Surface metrics including roughness, waviness, and isotropy were quantified, showing that isotropy decreased from 82.48 % at 0 h to 57.69 % at 4 h due to directional deformation, then partially recovered to 62.50 % at 10 h. Gaussian Process Regression (GPR) showed strong alignment with experimental surface trends and accurately predicted nanoscale topographic parameters. Response Surface Methodology (RSM) was employed to visualize size reduction behavior for B<sub>4</sub>C particles with initial sizes of 90, 700, and 1200 nm. For 700 nm particles, size reduction stabilized beyond 10 h, while 90 nm particles exhibited rapid refinement within the first 5–10 h. In contrast, 1200 nm particles showed slower, continuous reduction requiring >15 h of milling. SVM models successfully captured these nonlinear trends, with minor underestimations at intermediate time points. RSM plots for aluminum particle sizes (21 and 71 μm) revealed that Al-21 led to stable and uniform distributions, whereas Al-71 exhibited nonlinear behavior with volume percentage drops under specific conditions. These findings confirm that SVM and GPR are robust tools for modeling PSD and surface evolution in ball-milled nanoparticles.</div></div>\",\"PeriodicalId\":401,\"journal\":{\"name\":\"Particuology\",\"volume\":\"106 \",\"pages\":\"Pages 156-173\"},\"PeriodicalIF\":4.3000,\"publicationDate\":\"2025-07-28\",\"publicationTypes\":\"Journal Article\",\"fieldsOfStudy\":null,\"isOpenAccess\":false,\"openAccessPdf\":\"\",\"citationCount\":\"0\",\"resultStr\":null,\"platform\":\"Semanticscholar\",\"paperid\":null,\"PeriodicalName\":\"Particuology\",\"FirstCategoryId\":\"88\",\"ListUrlMain\":\"https://www.sciencedirect.com/science/article/pii/S1674200125001981\",\"RegionNum\":2,\"RegionCategory\":\"材料科学\",\"ArticlePicture\":[],\"TitleCN\":null,\"AbstractTextCN\":null,\"PMCID\":null,\"EPubDate\":\"\",\"PubModel\":\"\",\"JCR\":\"Q2\",\"JCRName\":\"ENGINEERING, CHEMICAL\",\"Score\":null,\"Total\":0}","platform":"Semanticscholar","paperid":null,"PeriodicalName":"Particuology","FirstCategoryId":"88","ListUrlMain":"https://www.sciencedirect.com/science/article/pii/S1674200125001981","RegionNum":2,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q2","JCRName":"ENGINEERING, CHEMICAL","Score":null,"Total":0}
AI-enhanced support vector machine framework for nanoparticle size and surface nanotopography analysis
This study presents a machine learning-based approach using Support Vector Machines (SVM) to model the particle size distribution (PSD) and predict surface characteristics of Al-B4C nanocomposite powders synthesized through high-energy ball milling. Two SVM kernels, Polynomial and Radial Basis Function (RBF), were applied to simulate PSD curves and surface morphology, with experimental validation conducted via laser particle size analysis and scanning electron microscopy (SEM). The models demonstrated strong predictive capabilities, achieving R2 values between 0.91 and 0.99 and cross-validation coefficients (q2) from 0.93 to 0.99. Normal distribution models yielded lower RMSE values (0.11–2.13) compared to cumulative distribution models (4.34–6.55), indicating higher precision in modeling. SEM analysis revealed morphological transitions during milling, with particles evolving from spherical to fragmented shapes after 4 h. Surface metrics including roughness, waviness, and isotropy were quantified, showing that isotropy decreased from 82.48 % at 0 h to 57.69 % at 4 h due to directional deformation, then partially recovered to 62.50 % at 10 h. Gaussian Process Regression (GPR) showed strong alignment with experimental surface trends and accurately predicted nanoscale topographic parameters. Response Surface Methodology (RSM) was employed to visualize size reduction behavior for B4C particles with initial sizes of 90, 700, and 1200 nm. For 700 nm particles, size reduction stabilized beyond 10 h, while 90 nm particles exhibited rapid refinement within the first 5–10 h. In contrast, 1200 nm particles showed slower, continuous reduction requiring >15 h of milling. SVM models successfully captured these nonlinear trends, with minor underestimations at intermediate time points. RSM plots for aluminum particle sizes (21 and 71 μm) revealed that Al-21 led to stable and uniform distributions, whereas Al-71 exhibited nonlinear behavior with volume percentage drops under specific conditions. These findings confirm that SVM and GPR are robust tools for modeling PSD and surface evolution in ball-milled nanoparticles.
期刊介绍:
The word ‘particuology’ was coined to parallel the discipline for the science and technology of particles.
Particuology is an interdisciplinary journal that publishes frontier research articles and critical reviews on the discovery, formulation and engineering of particulate materials, processes and systems. It especially welcomes contributions utilising advanced theoretical, modelling and measurement methods to enable the discovery and creation of new particulate materials, and the manufacturing of functional particulate-based products, such as sensors.
Papers are handled by Thematic Editors who oversee contributions from specific subject fields. These fields are classified into: Particle Synthesis and Modification; Particle Characterization and Measurement; Granular Systems and Bulk Solids Technology; Fluidization and Particle-Fluid Systems; Aerosols; and Applications of Particle Technology.
Key topics concerning the creation and processing of particulates include:
-Modelling and simulation of particle formation, collective behaviour of particles and systems for particle production over a broad spectrum of length scales
-Mining of experimental data for particle synthesis and surface properties to facilitate the creation of new materials and processes
-Particle design and preparation including controlled response and sensing functionalities in formation, delivery systems and biological systems, etc.
-Experimental and computational methods for visualization and analysis of particulate system.
These topics are broadly relevant to the production of materials, pharmaceuticals and food, and to the conversion of energy resources to fuels and protection of the environment.