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| constexpr auto | walberla::mesa_pd::kernel::cnt::dT = 20_r |
| | timestep is fixed to 20 fs. More...
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| constexpr auto | walberla::mesa_pd::kernel::cnt::CutoffFactor = 4_r |
| | vdW interaction radius w/r to inertial segment radius More...
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| constexpr auto | walberla::mesa_pd::kernel::cnt::mm = 10_r |
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| constexpr auto | walberla::mesa_pd::kernel::cnt::nn = 10_r |
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| constexpr auto | walberla::mesa_pd::kernel::cnt::En = 1029_r |
| | CNT Young modulus in GPa based on atomistic simulations. More...
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| constexpr auto | walberla::mesa_pd::kernel::cnt::Gs = 459_r |
| | CNT shear modulus in GPa based on atomistic simulations. More...
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| constexpr auto | walberla::mesa_pd::kernel::cnt::a_CC = 1.42_r |
| | Equilibrium distance of a covalent C-C bond. More...
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| constexpr auto | walberla::mesa_pd::kernel::cnt::a_VD = 3.35_r |
| | Equilibrium vdW separation of two CNT surfaces. More...
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| constexpr auto | walberla::mesa_pd::kernel::cnt::R_CNT = 6.78_r |
| | CNT radius. More...
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| constexpr auto | walberla::mesa_pd::kernel::cnt::R_1 = R_CNT + 0.5_r * a_VD |
| | external radius of an idealized hollow cylindrical shell More...
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| constexpr auto | walberla::mesa_pd::kernel::cnt::R_2 = R_CNT - 0.5_r * a_VD |
| | internal radius of an idealized hollow cylindrical shell More...
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| constexpr auto | walberla::mesa_pd::kernel::cnt::T = 2_r * R_CNT |
| | height of a cylindrical segment More...
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| constexpr auto | walberla::mesa_pd::kernel::cnt::ro = 4_r * mm / ( math::root_three * a_CC ) |
| | linear density in atoms per A More...
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| constexpr auto | walberla::mesa_pd::kernel::cnt::M_C = 12.011_r |
| | Atomic mass of Carbon in AMU. More...
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| constexpr auto | walberla::mesa_pd::kernel::cnt::mass_T = ro * T * M_C * 104.397_r |
| | Mass of the repetitive cell in AMU. More...
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| const double | walberla::mesa_pd::kernel::cnt::vol_capsule = (4_r/3_r) * math::pi * (R_CNT * R_CNT * R_CNT) + math::pi * R_CNT * R_CNT * T |
| | Volume of a capsule. More...
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| const double | walberla::mesa_pd::kernel::cnt::dens_capsule = mass_T / vol_capsule |
| | Density of a capsule. More...
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| constexpr auto | walberla::mesa_pd::kernel::cnt::knorm = (En * 0.006242_r) / T |
| | V-bond parameter. More...
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| constexpr auto | walberla::mesa_pd::kernel::cnt::kshear = (Gs * 0.006242_r) / T |
| | V-bond parameter. More...
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| constexpr auto | walberla::mesa_pd::kernel::cnt::margin = 10.e-10_r |
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| constexpr auto | walberla::mesa_pd::kernel::cnt::outer_radius = CutoffFactor * R_CNT |
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| constexpr auto | walberla::mesa_pd::kernel::cnt::inner_radius = 1.5811_r * R_CNT |
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| constexpr auto | walberla::mesa_pd::kernel::cnt::vol_sphere = (4_r/3_r) * math::pi * (inner_radius * inner_radius * inner_radius) |
| | volume of a sphere More...
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| constexpr auto | walberla::mesa_pd::kernel::cnt::dens_sphere = mass_T / vol_sphere |
| | density of a sphere More...
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