To　investigate　the　intrinsic　self-healing　behavior　of　terminal　blend　(TB)-modified　asphalt　(TBMA),　this　study　establishes　four　models　of　matrix　asphalt,　TBMA,　TBMA　containing　styrene-butadiene-　styrene　(TB_SBS),　and　TBMA　containing　ethylene　vinyl　acetate　(TB_EVA)　based　on　molecular　dynamics,　and　the　self-healing　ability　of　the　four　types　of　asphalt　was　evaluated　by　means　of　the　diffusion　coefficient,　diffusion　activation　energy,　and　pre-exponential　factor.　Finally,　the　study　analyzes　and　validates　the　self-healing　performance　of　the　asphalt　through　fatigue　shear-healing　tests.　The　results　showed　that　the　self-healing　potentials　of　the　four　types　of　asphalt,　as　determined　by　the　diffusion　coefficient,　diffusion　activation　energy,　and　pre-exponential　factor,　were　(in　descending　order)　TB_SBS,　TBMA,　TB_EVA,　and　matrix　asphalt.　In　addition,　the　diffusion　coefficient　of　the　TBMA　was　increased　relative　to　the　matrix　asphalt,　SBS　polymer　further　increased　the　diffusion　coefficient,　and　EVA　modifier　had　an　inhibitory　effect,　which　was　related　to　the　viscoelasticity　and　mechanical　performance　of　the　material.　Besides,　the　diffusion　coefficient　enhancement　effect　of　the　SBS　modifier　on　the　TBMA　was　greater　than　the　inhibition　effect,　which　mainly　derived　from　the　enhancement　of　the　diffusion　coefficient　of　lightweight　components　in　significantly　enhancing　the　self-healing　ability　the　TBMA.　From　microscopic　and　macroscopic　scales,　the　shear-fatigue　healing　tests　showed　excellent　correlation　with　the　simulation　results,　demonstrating　that　molecular　dynamics　can　be　used　to　model　the　self-healing　process　of　asphalt.