{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,10,23]],"date-time":"2026-10-23T21:13:05Z","timestamp":1792789985443,"version":"4.5.0"},"reference-count":36,"publisher":"MDPI AG","issue":"19","license":[{"start":{"date-parts":[[2026,10,6]],"date-time":"2026-10-06T00:00:00Z","timestamp":1791244800000},"content-version":"vor","delay-in-days":0,"URL":"https:\/\/creativecommons.org\/licenses\/by\/4.0\/"}],"funder":[{"name":"National Natural Science Foundation of China","award":["12202087"],"award-info":[{"award-number":["12202087"]}],"id":[{"id":"https:\/\/ror.org\/01h0zpd94","id-type":"ROR","asserted-by":"crossref"}]},{"name":"National Natural Science Foundation of China","award":["12302464"],"award-info":[{"award-number":["12302464"]}],"id":[{"id":"https:\/\/ror.org\/01h0zpd94","id-type":"ROR","asserted-by":"crossref"}]},{"award":["12202087"],"award-info":[{"award-number":["12202087"]}],"id":[{"id":"https:\/\/ror.org\/01h0zpd94","id-type":"ROR","asserted-by":"publisher"}]},{"award":["12302464"],"award-info":[{"award-number":["12302464"]}],"id":[{"id":"https:\/\/ror.org\/01h0zpd94","id-type":"ROR","asserted-by":"publisher"}]},{"DOI":"10.13039\/501100007957","name":"Science and Technology Research Program of Chongqing Municipal Education Commission","doi-asserted-by":"publisher","award":["KJQN202300725"],"award-info":[{"award-number":["KJQN202300725"]}],"id":[{"id":"10.13039\/501100007957","id-type":"DOI","asserted-by":"publisher"}]},{"award":["KJQN202300725"],"award-info":[{"award-number":["KJQN202300725"]}],"id":[{"id":"https:\/\/ror.org\/031nm5713","id-type":"ROR","asserted-by":"publisher"}]},{"name":"Natural Science Foundation of Chongqing","award":["CSTB2025NSCQ-GPX0847"],"award-info":[{"award-number":["CSTB2025NSCQ-GPX0847"]}]},{"name":"Natural Science Foundation of Chongqing","award":["CSTB2025NSCQ-GPX0858"],"award-info":[{"award-number":["CSTB2025NSCQ-GPX0858"]}]}],"content-domain":{"domain":[],"crossmark-restriction":false},"short-container-title":["Polymers"],"abstract":"<jats:p>Non-metallic polytetrafluoroethylene (PTFE)-based reactive materials (RMs) exhibit relatively high energy density; however, the low shock sensitivity hinders their widespread application in space debris protection. To develop lightweight, high-energy PTFE-based RMs with superior shock-induced energy-release performance, Al\/Si\/PTFE ternary RMs were produced by a cold pressing and sintering process with additions of Aluminum (Al) and Silicon (Si) powders. The effect of Al and Si content on the impact ignition and energy release of Al\/Si\/PTFE was investigated by split Hopkinson pressure bar (SHPB) experiments. High-speed photography shows that the addition of Al powder can effectively lower the reaction threshold of Si\/PTFE and enhance its energy release efficiency. The critical reaction temperature threshold of Al1.2Si1PTFE is lower than that of other Al\/Si\/PTFE RMs, and its primary and secondary ignition intensities are the highest. The micro-ignition mechanism of the Al\/Si\/PTFE RMs was revealed by molecular dynamics (MD) simulations and differential scanning calorimetry (DSC) experiments. The synergistic effect of Al and Si particles in Al1.2Si1PTFE under a shock wave produces a more pronounced local temperature rise and more hotspots, ultimately releasing the greatest extent of reaction.<\/jats:p>","DOI":"10.3390\/polym18192432","type":"journal-article","created":{"date-parts":[[2026,10,6]],"date-time":"2026-10-06T08:06:47Z","timestamp":1791274007000},"page":"2432","update-policy":"https:\/\/doi.org\/10.3390\/mdpi_crossmark_policy","source":"Crossref","is-referenced-by-count":0,"title":["Atomic-Scale Reaction Mechanism of Impact Ignition in Al\/Si\/PTFE Reactive Materials"],"prefix":"10.3390","volume":"18","author":[{"ORCID":"https:\/\/orcid.org\/0000-0002-5116-6161","authenticated-orcid":false,"given":"Liangfei","family":"Gong","sequence":"first","affiliation":[{"name":"State Key Laboratory of Mountain Bridge and Tunnel Engineering, Chongqing Jiaotong University, Chongqing 400074, China"}],"role":[{"vocabulary":"crossref","role":"author"},{"role":"writing-original-draft","vocabulary":"credit"},{"role":"conceptualization","vocabulary":"credit"},{"role":"methodology","vocabulary":"credit"},{"role":"investigation","vocabulary":"credit"},{"role":"funding-acquisition","vocabulary":"credit"}]},{"given":"Lieke","family":"Ma","sequence":"additional","affiliation":[{"name":"State Key Laboratory of Mountain Bridge and Tunnel Engineering, Chongqing Jiaotong University, Chongqing 400074, China"}],"role":[{"vocabulary":"crossref","role":"author"},{"role":"methodology","vocabulary":"credit"},{"role":"formal-analysis","vocabulary":"credit"},{"role":"visualization","vocabulary":"credit"},{"role":"data-curation","vocabulary":"credit"}]},{"given":"Xiaomalong","family":"Pu","sequence":"additional","affiliation":[{"name":"State Key Laboratory of Mountain Bridge and Tunnel Engineering, Chongqing Jiaotong University, Chongqing 400074, China"}],"role":[{"vocabulary":"crossref","role":"author"},{"role":"methodology","vocabulary":"credit"},{"role":"formal-analysis","vocabulary":"credit"}]},{"given":"Bo","family":"Li","sequence":"additional","affiliation":[{"name":"State Key Laboratory of Mountain Bridge and Tunnel Engineering, Chongqing Jiaotong University, Chongqing 400074, China"}],"role":[{"vocabulary":"crossref","role":"author"},{"role":"visualization","vocabulary":"credit"},{"role":"formal-analysis","vocabulary":"credit"}]},{"given":"Yulian","family":"Liu","sequence":"additional","affiliation":[{"name":"State Key Laboratory of Mountain Bridge and Tunnel Engineering, Chongqing Jiaotong University, Chongqing 400074, China"}],"role":[{"vocabulary":"crossref","role":"author"},{"role":"validation","vocabulary":"credit"},{"role":"formal-analysis","vocabulary":"credit"}]},{"given":"Ao","family":"Mei","sequence":"additional","affiliation":[{"name":"State Key Laboratory of Mountain Bridge and Tunnel Engineering, Chongqing Jiaotong University, Chongqing 400074, China"}],"role":[{"vocabulary":"crossref","role":"author"},{"role":"methodology","vocabulary":"credit"},{"role":"writing-review-editing","vocabulary":"credit"},{"role":"investigation","vocabulary":"credit"}]},{"ORCID":"https:\/\/orcid.org\/0000-0001-9039-3247","authenticated-orcid":false,"given":"Jie","family":"Wang","sequence":"additional","affiliation":[{"name":"College of Aerospace Engineering, Chongqing University, Chongqing 400044, China"}],"role":[{"vocabulary":"crossref","role":"author"},{"role":"supervision","vocabulary":"credit"},{"role":"writing-review-editing","vocabulary":"credit"},{"role":"software","vocabulary":"credit"},{"role":"project-administration","vocabulary":"credit"},{"role":"methodology","vocabulary":"credit"},{"role":"investigation","vocabulary":"credit"},{"role":"funding-acquisition","vocabulary":"credit"},{"role":"conceptualization","vocabulary":"credit"}]}],"member":"1968","published-online":{"date-parts":[[2026,10,6]]},"reference":[{"key":"ref_1","doi-asserted-by":"crossref","first-page":"286","DOI":"10.1002\/prep.201200102","article-title":"Altering Reactivity of Aluminum with Selective Inclusion of Polytetrafluoroethylene through Mechanical Activation","volume":"38","author":"Sippel","year":"2013","journal-title":"Propellants Explos. Pyrotech."},{"key":"ref_2","doi-asserted-by":"crossref","first-page":"1735","DOI":"10.1016\/j.ijimpeng.2008.07.041","article-title":"Modeling the impact deformation of rods of a pressed PTFE\/Al composite mixture","volume":"35","author":"Raftenberg","year":"2008","journal-title":"Int. J. Impact Eng."},{"key":"ref_3","doi-asserted-by":"crossref","first-page":"11192","DOI":"10.1007\/s11665-023-07936-z","article-title":"Mechanical Behavior of Polytetrafluoroethylene\/Aluminum Energetic Materials under High and Low Temperature Conditions","volume":"32","author":"Qiang","year":"2023","journal-title":"J. Mater. Eng. Perform."},{"key":"ref_4","doi-asserted-by":"crossref","first-page":"329","DOI":"10.1016\/j.enmf.2024.09.004","article-title":"Shock reaction model for impact energy release behavior of Al\/PTFE reactive material","volume":"5","author":"Guo","year":"2024","journal-title":"Energ. Mater. Front."},{"key":"ref_5","doi-asserted-by":"crossref","first-page":"62","DOI":"10.1016\/j.dt.2020.11.020","article-title":"Investigation of the shock compression behaviors of Al\/PTFE composites with experimental and a 3D mesoscale-model","volume":"18","author":"Yang","year":"2022","journal-title":"Def. Technol."},{"key":"ref_6","doi-asserted-by":"crossref","first-page":"311","DOI":"10.1016\/j.combustflame.2013.08.009","article-title":"Aluminum agglomeration reduction in a composite propellant using tailored Al\/PTFE particles","volume":"161","author":"Sippel","year":"2014","journal-title":"Combust. Flame"},{"key":"ref_7","doi-asserted-by":"crossref","first-page":"1097","DOI":"10.1063\/1.2263514","article-title":"Impact Initiation of Rods of Pressed Polytetrafluoroethylene (PTFE) and Aluminum Powders","volume":"845","author":"Willis","year":"2006","journal-title":"AIP Conf. Proc."},{"key":"ref_8","doi-asserted-by":"crossref","first-page":"842","DOI":"10.1016\/j.ijimpeng.2008.11.011","article-title":"Impact ignition of nano and micron composite energetic materials","volume":"36","author":"Hunt","year":"2009","journal-title":"Int. J. Impact Eng."},{"key":"ref_9","first-page":"333","article-title":"Combustion of Flake Aluminum with PTFE in Solid and Hybrid Rockets","volume":"2","author":"Marothiya","year":"2023","journal-title":"Nano Micro-Scale Energ. Mater."},{"key":"ref_10","doi-asserted-by":"crossref","first-page":"373","DOI":"10.1016\/j.combustflame.2004.05.006","article-title":"Laser ignition of nanocomposite thermites","volume":"138","author":"Granier","year":"2004","journal-title":"Combust. Flame"},{"key":"ref_11","doi-asserted-by":"crossref","first-page":"083508","DOI":"10.1063\/1.4793281","article-title":"Experimental study on impact-initiated characters of multifunctional energetic structural materials","volume":"113","author":"Zhang","year":"2013","journal-title":"J. Appl. Phys."},{"key":"ref_12","doi-asserted-by":"crossref","first-page":"109693","DOI":"10.1016\/j.ijthermalsci.2025.109693","article-title":"Energy release characteristics of Al\/PTFE reactive materials under laser ignition experiment","volume":"211","author":"Wang","year":"2025","journal-title":"Int. J. Therm. Sci."},{"key":"ref_13","doi-asserted-by":"crossref","first-page":"106434","DOI":"10.1016\/j.csite.2025.106434","article-title":"Multi-field energy release characteristics during shell-encapsulated Al\/PTFE energetic powder deflagration reaction","volume":"73","author":"Tang","year":"2025","journal-title":"Case Stud. Therm. Eng."},{"key":"ref_14","doi-asserted-by":"crossref","first-page":"9349","DOI":"10.1016\/j.jmrt.2025.05.173","article-title":"Response characteristics of Al\/PTFE reactive material with aluminum honeycomb framework under impact loading","volume":"36","author":"Song","year":"2025","journal-title":"J. Mater. Res. Technol."},{"key":"ref_15","doi-asserted-by":"crossref","first-page":"603","DOI":"10.1002\/prep.201700003","article-title":"Investigation on Impact Initiation Characteristics of Fluoropolymer-matrix Reactive Materials","volume":"42","author":"Zhou","year":"2017","journal-title":"Propellants Explos. Pyrotech."},{"key":"ref_16","doi-asserted-by":"crossref","first-page":"114543","DOI":"10.1016\/j.combustflame.2025.114543","article-title":"Electrospray-engineered Al\/PTFE\/NC microspheres with self-reactive 3D thermal-conductive networks for enhanced combustion performance","volume":"282","author":"He","year":"2025","journal-title":"Combust. Flame"},{"key":"ref_17","doi-asserted-by":"crossref","first-page":"113481","DOI":"10.1016\/j.combustflame.2024.113481","article-title":"Dual-fuel addition for enhancing energy release performance of PTFE\/Al\/Si ternary thermites","volume":"266","author":"Zhuang","year":"2024","journal-title":"Combust. Flame"},{"key":"ref_18","doi-asserted-by":"crossref","unstructured":"Ran, X., Ding, L., Zhou, J., and Tang, W. (2019). Research on the Energy Release Characteristics of Six Kinds of Reactive Materials. Materials, 12.","DOI":"10.3390\/ma12233940"},{"key":"ref_19","doi-asserted-by":"crossref","first-page":"131209","DOI":"10.1016\/j.matchemphys.2025.131209","article-title":"Mechanical behavior and reaction energy release mechanism of Al\/PTFE-based energetic materials under impact load","volume":"345","author":"Song","year":"2025","journal-title":"Mater. Chem. Phys."},{"key":"ref_20","doi-asserted-by":"crossref","unstructured":"Guo, Z., Liu, R., Wang, C.T., He, Y., He, Y., Ma, Y., and Hu, X. (2022). Compressive Mechanical Properties and Shock-Induced Reaction Behavior of Zr\/PTFE and Ti\/PTFE Reactive Materials. Materials, 15.","DOI":"10.3390\/ma15196524"},{"key":"ref_21","doi-asserted-by":"crossref","unstructured":"Li, Y., Wang, Z., Jiang, C., and Niu, H. (2017). Experimental Study on Impact-Induced Reaction Characteristics of PTFE\/Ti Composites Enhanced by W Particles. Materials, 10.","DOI":"10.3390\/ma10020175"},{"key":"ref_22","doi-asserted-by":"crossref","first-page":"446","DOI":"10.1016\/j.enmf.2025.01.003","article-title":"Region distribution of PTFE\/Al-Ti composite jet and its penetration-deflagration damage mechanism for multi-spaced targets","volume":"4","author":"He","year":"2025","journal-title":"Energ. Mater. Front."},{"key":"ref_23","doi-asserted-by":"crossref","first-page":"112889","DOI":"10.1016\/j.combustflame.2023.112889","article-title":"Improved reactivity and energy release performance of core-shell structured fuel-rich Si\/PTFE energetic composites","volume":"255","author":"Zhuang","year":"2023","journal-title":"Combust. Flame"},{"key":"ref_24","doi-asserted-by":"crossref","first-page":"13901","DOI":"10.1007\/s10973-022-11580-5","article-title":"Effects of doping type of Si on the exothermic characteristics of Si\/PTFE energetic composites","volume":"147","author":"Zhang","year":"2022","journal-title":"J. Therm. Anal. Calorim."},{"key":"ref_25","doi-asserted-by":"crossref","unstructured":"Ding, L., Cui, X., Tang, W., Zhong, X., Zhao, Y., Huang, Y., Shi, P., and Xue, X. (2022). Research on the Constitutive Model of PTFE\/Al\/Si Reactive Material. Polymers, 14.","DOI":"10.3390\/polym14071358"},{"key":"ref_26","doi-asserted-by":"crossref","first-page":"235503","DOI":"10.1103\/PhysRevLett.90.235503","article-title":"A method for tractable dynamical studies of single and double shock compression","volume":"90","author":"Evan","year":"2003","journal-title":"Phys. Rev. Lett."},{"key":"ref_27","doi-asserted-by":"crossref","first-page":"7407","DOI":"10.1021\/ma071052c","article-title":"Surface and Thin Film Characteristics of Poly(tetrafluoroethylene) Melts from Molecular Dynamics Simulations","volume":"40","author":"Lee","year":"2007","journal-title":"Macromolecules"},{"key":"ref_28","doi-asserted-by":"crossref","first-page":"109432","DOI":"10.1016\/j.commatsci.2019.109432","article-title":"Development and application of EAM potentials for Ti, Al and Nb with enhanced planar fault energy of Ti","volume":"173","author":"Cheng","year":"2020","journal-title":"Comput. Mater. Sci."},{"key":"ref_29","doi-asserted-by":"crossref","first-page":"112557","DOI":"10.1016\/j.commatsci.2023.112557","article-title":"Long-range Tersoff potential for silicon to reproduce 30\u00b0 partial dislocation migration","volume":"231","author":"Atsuo","year":"2024","journal-title":"Comput. Mater. Sci."},{"key":"ref_30","doi-asserted-by":"crossref","first-page":"025102","DOI":"10.1063\/5.0072249","article-title":"Molecular dynamics study on the shock induced spallation of polyethylene","volume":"131","author":"Dewapriya","year":"2022","journal-title":"J. Appl. Phys."},{"key":"ref_31","unstructured":"Marsh, S.P. (1980). Lasl Shock Hugoniot Data, University of California Press."},{"key":"ref_32","doi-asserted-by":"crossref","first-page":"201913","DOI":"10.1063\/1.2814067","article-title":"Inelastic deformation and phase transformation of shock compressed silicon single crystals","volume":"91","author":"Turneaure","year":"2007","journal-title":"Appl. Phys. Lett."},{"key":"ref_33","doi-asserted-by":"crossref","first-page":"094107","DOI":"10.1103\/PhysRevB.93.094107","article-title":"Ab initio calculation of the shock Hugoniot of bulk silicon","volume":"93","author":"Strickson","year":"2016","journal-title":"Phys. Rev. B"},{"key":"ref_34","doi-asserted-by":"crossref","first-page":"012069","DOI":"10.1088\/1742-6596\/3213\/1\/012069","article-title":"Preparation and performance study of Al\/Si\/PTFE ternary reactive material","volume":"3213","author":"Hu","year":"2026","journal-title":"J. Phys. Conf. Ser."},{"key":"ref_35","doi-asserted-by":"crossref","first-page":"9979","DOI":"10.1021\/jp047912y","article-title":"Introduction to Active Thermochemical Tables: Several \u201cKey\u201d Enthalpies of Formation Revisited","volume":"108","author":"Ruscic","year":"2004","journal-title":"J. Phys. Chem. A"},{"key":"ref_36","doi-asserted-by":"crossref","first-page":"4139","DOI":"10.1021\/j100871a072","article-title":"Sublimation of Aluminum Trifluoride and the Infrared Spectrum of AlF3(g)","volume":"71","author":"Buchler","year":"1967","journal-title":"J. Phys. Chem."}],"container-title":["Polymers"],"original-title":[],"language":"en","link":[{"URL":"https:\/\/www.mdpi.com\/2073-4360\/18\/19\/2432\/pdf","content-type":"unspecified","content-version":"vor","intended-application":"similarity-checking"}],"deposited":{"date-parts":[[2026,10,8]],"date-time":"2026-10-08T04:11:41Z","timestamp":1791432701000},"score":1,"resource":{"primary":{"URL":"https:\/\/www.mdpi.com\/2073-4360\/18\/19\/2432"}},"subtitle":[],"short-title":[],"issued":{"date-parts":[[2026,10,6]]},"references-count":36,"journal-issue":{"issue":"19","published-online":{"date-parts":[[2026,10]]}},"alternative-id":["polym18192432"],"URL":"https:\/\/doi.org\/10.3390\/polym18192432","relation":{},"ISSN":["2073-4360"],"issn-type":[{"value":"2073-4360","type":"electronic"}],"subject":[],"published":{"date-parts":[[2026,10,6]]}}}