#include <stdio.h>
#include <search.h>
#include <stdlib.h>
#include <math.h>
#include <string.h>
#include "FuncDef.h"
#include <unistd.h>
#include <time.h>
#include <sys/stat.h>
#include <stdbool.h>

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Data Structures
struct	inpfile

struct	lagrangian

struct	intcoef

struct	posit3d

struct	tempout

Functions
void	ParticleTrack ()

void	CheckNewCell ()

struct intcoef	CalculateWeights (int nn1, int nn2, int nn3)

void	SearchNeighborCells (int nn1, int nn2, int nn3)

int	InsideCell (unsigned int numc)

void	PredictorStep ()

void	CorrectorStep ()

void	NeighborCells (int k)

void	DefineTimeStep ()

int	CheckDistance ()

double	InOutFlowCell (int indcell, int int1, double nposx, double nposy)

void	AcrossIntersection (int prevcell, int int1, int int2, int mixing_rule)

int	StreamlineRandomSampling (double products[4], double speedsq[4], int indj, int int1, int indk, int neighborcellind[4], int neighborfracind[4], int prevfrac, int prevcell)

int	CompleteMixingRandomSampling (double products[4], double speedsq[4], int indj, int int1, int indk)

void	Moving2Center (int nnp, int cellnumber)

int	Moving2NextCell (int stuck, int k)

double	CalculateCurrentDT ()

int	Xindex (int nodenum, int nnp)

int	Yindex (int nodenum, int nnp)

void	Moving2NextCellBound (int prevcell)

void	ParticleOutput (int currentt, int fract_p)

void	FinalPosition ()

struct lagrangian	CalculateLagrangian (double xcurrent, double ycurrent, double zcurrent, double xprev, double yprev, double zprev)

double	TimeDomainRW (double time_advect)

Variables
struct lagrangian	lagvariable

unsigned int	FLAG_OUT = 0

unsigned int	all_out = 0

unsigned int	np

unsigned int	t

unsigned int	nodeID = 0

unsigned int	avs_o = 0

unsigned int	traj_o = 0

unsigned int	curv_o = 0

unsigned int	no_out = 0

unsigned int	tdrw = 0

unsigned int	mixing_rule = 1

unsigned int	marfa = 0

unsigned int	plumec = 0

unsigned int	disp_o = 0

unsigned int	timecounter = 0

unsigned int	frac_o = 0

unsigned int	tfile = 0

unsigned int	tdrw_o = 0

unsigned int	tdrw_limited = 0

double	tdrw_porosity = 0.0

double	tdrw_diffcoeff = 0.0

double	t_adv0 = 0.0

double	t_adv = 0.0

double	timediff = 0.0

double	tdrw_lambda = 0.0

struct tempout *	tempdata

Function Documentation

◆ AcrossIntersection()

void AcrossIntersection	(	int	prevcell,
		int	int1,
		int	int2,
		int	mixing_rule
	)

Particle is moving through intersection line

Definition at line 1784 of file TrackingPart.c.

References CalculateWeights(), cell, vertex::cells, ChangeFracture(), CompleteMixingRandomSampling(), vertex::coord_xy, vertex::fracture, element::fracture, contam::intcell, mixing_rule, node, element::node_ind, np, particle, contam::position, contam::prev_pos, StreamlineRandomSampling(), element::veloc_ind, vertex::velocity, intcoef::weights, XindexC(), and YindexC().

Referenced by CheckDistance().

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◆ CalculateCurrentDT()

double CalculateCurrentDT ( )

Functions returns particle instanteneous time step

Definition at line 2239 of file TrackingPart.c.

References contam::cell, cell, node, element::node_ind, np, particle, vertex::timestep, element::veloc_ind, and contam::weight.

Referenced by CalculateWeights(), CheckDistance(), CorrectorStep(), and PredictorStep().

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◆ CalculateLagrangian()

struct lagrangian CalculateLagrangian	(	double	xcurrent,
		double	ycurrent,
		double	zcurrent,
		double	xprev,
		double	yprev,
		double	zprev
	)

Function calculates Lagrangian variables: tau and beta.

Definition at line 2634 of file TrackingPart.c.

References contam::cell, cell, vertex::cells, vertex::coord_xy, vertex::indnodes, node, element::node_ind, np, vertex::numneighb, particle, contam::position, contam::prev_pos, contam::time, Xindex(), and Yindex().

Referenced by ParticleTrack().

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◆ CalculateWeights()

struct intcoef CalculateWeights	(	int	nn1,
		int	nn2,
		int	nn3
	)

Function calculates interpolation weights for velocity instanteneous particles velocity and time step.

Definition at line 1111 of file TrackingPart.c.

References CalculateCurrentDT(), CalculateWeights(), contam::cell, cell, FLAG_OUT, contam::fracture, node, element::node_ind, np, vertex::numneighb, particle, contam::position, contam::prev_pos, SearchNeighborCells(), contam::velocity, contam::weight, and intcoef::weights.

Referenced by AcrossIntersection(), CalculateWeights(), InOutFlowCell(), and InsideCell().

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◆ CheckDistance()

int CheckDistance ( )

Function checks the distance from particle to intersection line when particles is located at the intersection triangular cell

Definition at line 1474 of file TrackingPart.c.

References AcrossIntersection(), CalculateCurrentDT(), contam::cell, cell, vertex::cells, CheckNewCell(), vertex::coord_xy, vertex::fracture, fracture, vertex::indnodes, InOutFlowCell(), mixing_rule, no_out, node, element::node_ind, np, vertex::numneighb, particle, ParticleOutput(), contam::position, PredictorStep(), contam::prev_pos, t, t_adv, t_adv0, contam::t_adv_diff, contam::t_diff, tdrw, tdrw_o, contam::time, timediff, TimeDomainRW(), Xindex(), and Yindex().

Referenced by ParticleTrack().

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◆ CheckNewCell()

void CheckNewCell ( )

Function performs a check, did particle move to a new triangular cell during last time step or stayed at the same cell

Definition at line 1111 of file TrackingPart.c.

Referenced by CheckDistance(), and ParticleTrack().

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◆ CompleteMixingRandomSampling()

int CompleteMixingRandomSampling	(	double	products[4],
		double	speedsq[4],
		int	indj,
		int	int1,
		int	indk
	)

Particle motion at a fracture intersection is determined by the streamline routing rule Arg 1: Cross product to define outgoing and incoming cells. Vector contains value for each cell at the intersection Arg 2: Vector of the speed squared for each cell at the intersection Arg 3: index of current cell in int1 node list Arg 4: int1 is the index of the node of the incoming cell that lies on the intersection Arg 5: indk gives the position in the list of the 4 intersection cells that is previous cell Return: The Exit cell at the intersection

Definition at line 2089 of file TrackingPart.c.

References vertex::cells, and node.

Referenced by AcrossIntersection().

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◆ CorrectorStep()

void CorrectorStep ( )

Corrector step in Predictor-Corrector technique. Function calculates new particle position using calculated velocity in Predictor step.

Definition at line 1408 of file TrackingPart.c.

References CalculateCurrentDT(), contam::cell, cell, element::node_ind, np, particle, contam::position, contam::prev_pos, element::veloc_ind, and contam::velocity.

Referenced by ParticleTrack().

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◆ DefineTimeStep()

void DefineTimeStep ( )

Function performs a loop through all the nodes in the mesh and defines a time step at each node. The time step of particles will be interpolated from time steps defined at each node.

Definition at line 1447 of file TrackingPart.c.

References nnodes, node, vertex::timestep, and vertex::velocity.

Referenced by main().

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◆ FinalPosition()

void FinalPosition ( )

Function calculates particles final position at out-flow boundary

Definition at line 2634 of file TrackingPart.c.

Referenced by ParticleTrack().

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◆ InOutFlowCell()

double InOutFlowCell	(	int	indcell,
		int	int1,
		double	nposx,
		double	nposy
	)

Function defines if velocities on cell vertices pointing in or out of intersection line

Definition at line 1730 of file TrackingPart.c.

References CalculateWeights(), contam::cell, cell, ChangeFracture(), vertex::coord_xy, contam::fracture, node, element::node_ind, np, particle, contam::position, element::veloc_ind, vertex::velocity, intcoef::weights, XindexC(), and YindexC().

Referenced by CheckDistance().

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◆ InsideCell()

int InsideCell ( unsigned int numc )

Function checks if particle is in the cell (numc is cell ID)

Definition at line 1324 of file TrackingPart.c.

References CalculateWeights(), contam::cell, cell, contam::intcell, node, element::node_ind, np, particle, contam::weight, and intcoef::weights.

Referenced by InitCell(), InitPos(), Moving2Center(), and NeighborCells().

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◆ Moving2Center()

void Moving2Center	(	int	nnp,
		int	cellnumber
	)

Function moves particle to the center of the same cell

Definition at line 2175 of file TrackingPart.c.

References cell, vertex::coord_xy, InsideCell(), node, element::node_ind, particle, contam::position, Xindex(), and Yindex().

Referenced by InitPos(), Moving2NextCell(), and Moving2NextCellBound().

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◆ Moving2NextCell()

int Moving2NextCell	(	int	stuck,
		int	k
	)

Functions performs the movement of particle from one cell to the center of neighbouring cell.

Definition at line 2198 of file TrackingPart.c.

References contam::cell, cell, vertex::cells, fracture, Moving2Center(), node, np, and particle.

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◆ Moving2NextCellBound()

void Moving2NextCellBound ( int prevcell )

In the pathological rare case, when particle is out of fracture, the function is called and it's moving particle to internal cell

Definition at line 2286 of file TrackingPart.c.

References contam::cell, cell, vertex::cells, fracture, Moving2Center(), node, element::node_ind, np, and particle.

Referenced by ParticleTrack().

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◆ NeighborCells()

void NeighborCells ( int k )

Function checks neighboring cells to find a particle

Definition at line 1426 of file TrackingPart.c.

References vertex::cells, fracture, InsideCell(), node, np, and particle.

Referenced by SearchNeighborCells().

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◆ ParticleOutput()

void ParticleOutput	(	int	currentt,
		int	fract_p
	)

The function of particles trajectories outputs. Function is called at every intersection and outputs to file at each segment of particles trajectory: from intersection to intersection. The curvature of the trajectory is defined and dictate number of time steps for outputs (unless user requested every time step output).

Definition at line 2367 of file TrackingPart.c.

References vertex::aperture, avs_o, tempout::betap, CalculatePosition3D(), CalculateVelocity3D(), contam::cell, cell, tempout::cellp, posit3d::cord3, curv_o, DefineAngle(), contam::fracture, fracture, tempout::fracturep, tempout::length_t, maindir, no_out, node, element::node_ind, nodeID, np, OpenFile(), particle, pi, contam::position, tempout::position2d, tempout::position3d, contam::pressure, tempout::pressure, t, tempdata, tfile, contam::time, timecounter, tempout::timep, tempout::times, traj_o, and tempout::velocity3d.

Referenced by CheckDistance(), and ParticleTrack().

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◆ ParticleTrack()

void ParticleTrack ( )

The main driving function of particles tracking procedure.

The all necessary options for particle tracking and for the outputs are read from input control file.
The subroutine for particle initial positions is called.
External loop on paticles is organised. One particle at a time.
Internal loop on time steps, where particles are mobing through fracture network. 4.1 Predictor -corrector technique is used for particles to move through fractures. 4.2 Complete mixing or streamline routing rule (defined by user) are used on intersections. 4.3 Particles data outputs.

Definition at line 66 of file TrackingPart.c.

References all_out, vertex::aperture, avs_o, tempout::betap, lagrangian::betta, CalculateLagrangian(), CalculatePosition3D(), CalculateVelocity3D(), contam::cell, cell, tempout::cellp, CheckDistance(), CheckNewCell(), Control_File(), Control_File_Optional(), Control_Param(), vertex::coord, posit3d::cord3, CorrectorStep(), curv_o, disp_o, inpfile::filename, FinalPosition(), contam::fl_weight, inpfile::flag, FLAG_OUT, flag_w, FlowInWeight(), frac_o, vertex::fracture, contam::fracture, fracture, tempout::fracturep, InitCell(), InitPos(), lagrangian::initx, lagrangian::inity, lagrangian::initz, lagvariable, tempout::length_t, maindir, marfa, mixing_rule, Moving2NextCellBound(), nfract, no_out, node, element::node_ind, nodeID, nodezonein, nodezoneout, np, OpenFile(), OutputMarPlumDisp(), inpfile::param, particle, ParticleOutput(), plumec, contam::position, tempout::position2d, tempout::position3d, PredictorStep(), contam::pressure, tempout::pressure, String_Compare(), t, t_adv, t_adv0, contam::t_adv_diff, contam::t_diff, lagrangian::tau, tdrw, tdrw_diffcoeff, tdrw_lambda, tdrw_limited, tdrw_o, tdrw_porosity, tempdata, tfile, contam::time, timecounter, timediff, TimeDomainRW(), tempout::timep, tempout::times, timesteps, timeunit, traj_o, and tempout::velocity3d.

Referenced by main().

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◆ PredictorStep()

void PredictorStep ( )

Predictor step in Predictor-Corrector technique. Function calculates new velocities and new particle position.

Definition at line 1383 of file TrackingPart.c.

References CalculateCurrentDT(), contam::cell, cell, node, element::node_ind, np, particle, contam::position, vertex::pressure, contam::pressure, contam::prev_pos, element::veloc_ind, contam::velocity, vertex::velocity, and contam::weight.

Referenced by CheckDistance(), and ParticleTrack().

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◆ SearchNeighborCells()

void SearchNeighborCells	(	int	nn1,
		int	nn2,
		int	nn3
	)

Function performs a search of neighbouring cells of current particles position.

Definition at line 1285 of file TrackingPart.c.

References cell, NeighborCells(), np, and particle.

Referenced by CalculateWeights().

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◆ StreamlineRandomSampling()

int StreamlineRandomSampling	(	double	products[4],
		double	speedsq[4],
		int	indj,
		int	int1,
		int	indk,
		int	neighborcellind[4],
		int	neighborfracind[4],
		int	prevfrac,
		int	prevcell
	)

Particle motion at a fracture intersection is determined by the streamline routing rule Arg 1: Cross product to define outgoing and incoming cells. Vector contains value for each cell at the intersection Arg 2: Vector of the speed squared for each cell at the intersection Arg 3: index of current cell in int1 node list Arg 4: int1 is the index of the node of the incoming cell that lies on the intersection Arg 5: indk gives the position in the list of the 4 intersection cells that is previous cell Arg 6: Vector of the indicies for the 4 neighboring cells Arg 7: Vector of the fracture index for the 4 neighboring cells Arg 8: Fracture a particle is coming from Arg 9: Cell index a particle is coming from Return: The Exit cell at the intersection

Definition at line 1901 of file TrackingPart.c.

References cell, vertex::cells, fracture, and node.

Referenced by AcrossIntersection().

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◆ TimeDomainRW()

double TimeDomainRW ( double time_advect )

Time Domain Random Walk (TDRW) procedure to account for matrix diffusion. Returns a diffusion time of particle per fracture. This function is called at each intersection.

Details on the method can be found in

Hyman, Jeffrey D., Harihar Rajaram, Shriram Srinivasan, Nataliia Makedonska, Satish Karra, Hari Viswanathan, and Gowri Srinivasan. "Matrix Diffusion in Fractured Media: New Insights Into Power Law Scaling of Breakthrough Curves." Geophysical Research Letters 46, no. 23 (2019): 13785-13795.

Definition at line 2769 of file TrackingPart.c.

References vertex::aperture, contam::cell, cell, material::firstnode, contam::fracture, fracture, node, element::node_ind, np, particle, pi, tdrw_diffcoeff, tdrw_lambda, tdrw_limited, tdrw_porosity, and timediff.