Struct SquareWellFreelyJointedChain 

pub struct SquareWellFreelyJointedChain {
    pub link_length: Scalar,
    pub number_of_links: u8,
    pub well_width: Scalar,
    pub ensemble: Ensemble,
}

The square-well freely-jointed chain model.¹

---

1. M.R. Buche, M.N. Silberstein, and S.J. Grutzik, Physical Review E 106, 024502 (2022). ↩

Fields

link_length: Scalar

The link length $\ell_b$.

number_of_links: u8

The number of links $N_b$.

well_width: Scalar

The well width $w_b$.

ensemble: Ensemble

The thermodynamic ensemble.

Trait Implementations

impl Clone for SquareWellFreelyJointedChain

fn clone(&self) -> SquareWellFreelyJointedChain

Returns a duplicate of the value.

fn clone_from(&mut self, source: &Self)

Performs copy-assignment from source.

impl Debug for SquareWellFreelyJointedChain

fn fmt(&self, f: &mut Formatter<'_>) -> Result

Formats the value using the given formatter.

impl Inextensible for SquareWellFreelyJointedChain

fn maximum_nondimensional_extension(&self) -> Scalar

\lim_{\eta\to\infty}\gamma(\eta) = 1 + \frac{w_b}{\ell_b} = \varsigma

fn nondimensional_extension_check( &self, nondimensional_extension: Scalar, ) -> Result<(), SingleChainError>

impl Isometric for SquareWellFreelyJointedChain

fn nondimensional_helmholtz_free_energy( &self, _nondimensional_extension: Scalar, ) -> Result<Scalar, SingleChainError>

fn nondimensional_force( &self, _nondimensional_extension: Scalar, ) -> Result<Scalar, SingleChainError>

fn nondimensional_stiffness( &self, _nondimensional_extension: Scalar, ) -> Result<Scalar, SingleChainError>

fn nondimensional_spherical_distribution( &self, _nondimensional_extension: Scalar, ) -> Result<Scalar, SingleChainError>

fn nondimensional_helmholtz_free_energy_per_link( &self, nondimensional_extension: Scalar, ) -> Result<Scalar, SingleChainError>

fn nondimensional_radial_distribution( &self, nondimensional_extension: Scalar, ) -> Result<Scalar, SingleChainError>

impl Isotensional for SquareWellFreelyJointedChain

fn nondimensional_gibbs_free_energy( &self, nondimensional_force: Scalar, ) -> Result<Scalar, SingleChainError>

\beta\varphi(\eta) = N_b\ln\left[\frac{\eta^3}{\varsigma\eta\cosh(\varsigma\eta) - \sinh(\varsigma\eta) - \eta\cosh(\eta) + \sinh(\eta)}\right]

fn nondimensional_extension( &self, nondimensional_force: Scalar, ) -> Result<Scalar, SingleChainError>

\gamma(\eta) = \frac{\varsigma^2\eta\sinh(\varsigma\eta) - \eta\sinh(\eta)}{\varsigma\eta\cosh(\varsigma\eta) - \sinh(\varsigma\eta) - \eta\cosh(\eta) + \sinh(\eta)} - \frac{3}{\eta}

fn nondimensional_compliance( &self, nondimensional_force: Scalar, ) -> Result<Scalar, SingleChainError>

\zeta(\eta) = \frac{\left(\varsigma^2\sinh(\varsigma\eta)+\varsigma^3\eta\cosh(\varsigma\eta)-\sinh(\eta)-\eta\cosh(\eta)\right)\left(\varsigma\eta\cosh(\varsigma\eta)-\sinh(\varsigma\eta)-\eta\cosh(\eta)+\sinh(\eta)\right)-\left(\varsigma^2\eta\sinh(\varsigma\eta)-\eta\sinh(\eta)\right)^2}{\left(\varsigma\eta\cosh(\varsigma\eta)-\sinh(\varsigma\eta)-\eta\cosh(\eta)+\sinh(\eta)\right)^2}+\frac{3}{\eta^2}

fn nondimensional_gibbs_free_energy_per_link( &self, nondimensional_force: Scalar, ) -> Result<Scalar, SingleChainError>

impl Legendre for SquareWellFreelyJointedChain

fn nondimensional_spherical_distribution( &self, _nondimensional_extension: Scalar, ) -> Result<Scalar, SingleChainError>

fn nondimensional_helmholtz_free_energy( &self, nondimensional_extension: Scalar, ) -> Result<Scalar, SingleChainError>

fn nondimensional_helmholtz_free_energy_per_link( &self, nondimensional_extension: Scalar, ) -> Result<Scalar, SingleChainError>

fn nondimensional_force( &self, nondimensional_extension: Scalar, ) -> Result<Scalar, SingleChainError>

fn nondimensional_stiffness( &self, nondimensional_extension: Scalar, ) -> Result<Scalar, SingleChainError>

fn nondimensional_radial_distribution( &self, nondimensional_extension: Scalar, ) -> Result<Scalar, SingleChainError>

fn nondimensional_gibbs_free_energy( &self, nondimensional_force: Scalar, ) -> Result<Scalar, SingleChainError>

fn nondimensional_gibbs_free_energy_per_link( &self, nondimensional_force: Scalar, ) -> Result<Scalar, SingleChainError>

fn nondimensional_extension( &self, nondimensional_force: Scalar, ) -> Result<Scalar, SingleChainError>

fn nondimensional_compliance( &self, nondimensional_force: Scalar, ) -> Result<Scalar, SingleChainError>

impl MonteCarlo for SquareWellFreelyJointedChain

fn random_nondimensional_link_vectors( &self, nondimensional_force: Scalar, ) -> Configuration

fn random_configuration(&self, nondimensional_force: Scalar) -> Configuration

impl SingleChain for SquareWellFreelyJointedChain

fn link_length(&self) -> Scalar

fn number_of_links(&self) -> u8

impl Thermodynamics for SquareWellFreelyJointedChain

fn ensemble(&self) -> Ensemble

fn temperature(&self) -> Scalar

fn nondimensional_helmholtz_free_energy( &self, nondimensional_extension: Scalar, ) -> Result<Scalar, SingleChainError>

fn nondimensional_helmholtz_free_energy_per_link( &self, nondimensional_extension: Scalar, ) -> Result<Scalar, SingleChainError>

fn nondimensional_force( &self, nondimensional_extension: Scalar, ) -> Result<Scalar, SingleChainError>

fn nondimensional_stiffness( &self, nondimensional_extension: Scalar, ) -> Result<Scalar, SingleChainError>

fn nondimensional_radial_distribution( &self, nondimensional_extension: Scalar, ) -> Result<Scalar, SingleChainError>

fn nondimensional_spherical_distribution( &self, nondimensional_extension: Scalar, ) -> Result<Scalar, SingleChainError>

fn nondimensional_gibbs_free_energy( &self, nondimensional_force: Scalar, ) -> Result<Scalar, SingleChainError>

fn nondimensional_gibbs_free_energy_per_link( &self, nondimensional_force: Scalar, ) -> Result<Scalar, SingleChainError>

fn nondimensional_extension( &self, nondimensional_force: Scalar, ) -> Result<Scalar, SingleChainError>

fn nondimensional_compliance( &self, nondimensional_force: Scalar, ) -> Result<Scalar, SingleChainError>