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CHPFCRFF.C
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9 
10 #include "CHPFCRFF.h"
11 #include "MathUtils.h"
12 
13 registerMooseObject("PhaseFieldApp", CHPFCRFF);
14 
17 {
19  params.addClassDescription(
20  "Cahn-Hilliard residual for the RFF form of the phase field crystal model");
21  params.addRequiredCoupledVar("v", "Array of names of the real parts of the L variables");
22  MooseEnum log_options("tolerance cancelation expansion nothing");
24  "log_approach", log_options, "Which approach will be used to handle the natural log");
25  params.addParam<Real>("tol", 1.0e-9, "Tolerance used when the tolerance approach is chosen");
26  params.addParam<Real>(
27  "n_exp_terms", 4, "Number of terms used in the Taylor expansion of the natural log term");
28  params.addParam<MaterialPropertyName>("mob_name", "M", "The mobility used with the kernel");
29  params.addParam<MaterialPropertyName>("Dmob_name", "DM", "The D mobility used with the kernel");
30  params.addParam<bool>("has_MJac", false, "Jacobian information for the mobility is defined");
31  params.addParam<Real>("a", 1.0, "Constants on Taylor Series");
32  params.addParam<Real>("b", 1.0, "Constants on Taylor Series");
33  params.addParam<Real>("c", 1.0, "Constants on Taylor Series");
34  return params;
35 }
36 
38  : Kernel(parameters),
39  _M(getMaterialProperty<Real>("mob_name")),
40  _has_MJac(getParam<bool>("has_MJac")),
41  _DM(_has_MJac ? &getMaterialProperty<Real>("Dmob_name") : NULL),
42  _log_approach(getParam<MooseEnum>("log_approach")),
43  _tol(getParam<Real>("tol")),
44  _num_L(coupledComponents("v")),
45  _vals_var(_num_L),
46  _grad_vals(_num_L),
47  _n_exp_terms(getParam<Real>("n_exp_terms")),
48  _a(getParam<Real>("a")),
49  _b(getParam<Real>("b")),
50  _c(getParam<Real>("c"))
51 {
52  // Loop through grains and load coupled gradients into the arrays
53  for (unsigned int i = 0; i < _num_L; ++i)
54  {
55  _vals_var[i] = coupled("v", i);
56  _grad_vals[i] = &coupledGradient("v", i);
57  }
58 }
59 
60 Real
62 {
63  Real c = _u[_qp];
64  RealGradient grad_c = _grad_u[_qp];
65  RealGradient sum_grad_L;
66 
67  for (unsigned int i = 0; i < _num_L; ++i)
68  sum_grad_L += (*_grad_vals[i])[_qp] * 0.5;
69 
70  Real frac = 0.0;
71  Real ln_expansion = 0.0;
72 
73  switch (_log_approach)
74  {
75  case 0: // approach using tolerance
76  if (1.0 + c < _tol)
77  frac = 1.0 / _tol;
78  else
79  frac = 1.0 / (1.0 + c);
80  break;
81 
82  case 2:
83  for (unsigned int i = 2; i < (_n_exp_terms + 2.0); ++i)
84  {
85  // Apply Coefficents to Taylor Series defined in input file
86  Real temp_coeff;
87  if (i == 2)
88  temp_coeff = _c;
89  else if (i == 3)
90  temp_coeff = _a;
91  else if (i == 4)
92  temp_coeff = _b;
93  else
94  temp_coeff = 1.0;
95 
96  ln_expansion += temp_coeff * std::pow(-1.0, Real(i)) * std::pow(_u[_qp], Real(i) - 2.0);
97  }
98  break;
99  }
100 
101  RealGradient GradDFDCons;
102 
103  switch (_log_approach)
104  {
105  case 0: // approach using tolerance
106  GradDFDCons = grad_c * frac - sum_grad_L;
107  break;
108 
109  case 1: // approach using cancelation from the mobility
110  GradDFDCons = grad_c - (1.0 + c) * sum_grad_L;
111  break;
112 
113  case 2: // appraoch using substitution
114  GradDFDCons = ln_expansion * grad_c - sum_grad_L;
115  break;
116 
117  case 3: // Just using the log
118  GradDFDCons = grad_c / (1.0 + c) - sum_grad_L;
119  break;
120  }
121 
122  Real residual = _M[_qp] * GradDFDCons * _grad_test[_i][_qp];
123  return residual;
124 }
125 
126 Real
128 {
129  Real c = _u[_qp];
130  RealGradient grad_c = _grad_u[_qp];
131  RealGradient sum_grad_L;
132 
133  for (unsigned int i = 0; i < _num_L; ++i)
134  sum_grad_L += (*_grad_vals[i])[_qp] * 0.5;
135 
136  Real frac = 0.0;
137  Real dfrac = 0.0;
138  Real ln_expansion = 0.0;
139 
140  switch (_log_approach)
141  {
142  case 0: // approach using tolerance
143  if (1.0 + c < _tol)
144  {
145  frac = 1.0 / _tol;
146  dfrac = -1.0 / (_tol * _tol);
147  }
148  else
149  {
150  frac = 1.0 / (1.0 + c);
151  dfrac = -1.0 / ((1.0 + c) * (1.0 + c));
152  }
153  break;
154 
155  case 2:
156  for (unsigned int i = 2; i < (_n_exp_terms + 2.0); ++i)
157  {
158  // Apply Coefficents to Taylor Series defined in input file
159  Real temp_coeff;
160  if (i == 2)
161  temp_coeff = _c;
162  else if (i == 3)
163  temp_coeff = _a;
164  else if (i == 4)
165  temp_coeff = _b;
166  else
167  temp_coeff = 1.0;
168 
169  ln_expansion += temp_coeff * std::pow(-1.0, Real(i)) * std::pow(_u[_qp], Real(i) - 2.0);
170  }
171  break;
172  }
173 
174  RealGradient dGradDFDConsdC;
175  Real Dln_expansion = 0.0;
176 
177  switch (_log_approach)
178  {
179  case 0: // approach using tolerance
180  dGradDFDConsdC = _grad_phi[_j][_qp] * frac + _phi[_j][_qp] * grad_c * dfrac;
181  break;
182 
183  case 1: // approach using cancelation from the mobility
184  dGradDFDConsdC = _grad_phi[_j][_qp] - _phi[_j][_qp] * sum_grad_L;
185  break;
186 
187  case 2: // appraoch using substitution
188  for (unsigned int i = 2; i < (_n_exp_terms + 2.0); ++i)
189  {
190  Real temp_coeff;
191  if (i == 2)
192  temp_coeff = _c;
193  else if (i == 3)
194  temp_coeff = _a;
195  else if (i == 4)
196  temp_coeff = _b;
197  else
198  temp_coeff = 1.0;
199 
200  Dln_expansion += temp_coeff * std::pow(static_cast<Real>(-1.0), static_cast<Real>(i)) *
201  (static_cast<Real>(i) - 2.0) *
202  std::pow(_u[_qp], static_cast<Real>(i) - 3.0);
203  }
204 
205  dGradDFDConsdC = ln_expansion * _grad_phi[_j][_qp] + _phi[_j][_qp] * Dln_expansion * grad_c;
206  break;
207 
208  case 3: // Nothing special
209  dGradDFDConsdC =
210  _grad_phi[_j][_qp] / (1.0 + c) - grad_c / ((1.0 + c) * (1.0 + c)) * _phi[_j][_qp];
211  break;
212  }
213 
214  return _M[_qp] * dGradDFDConsdC * _grad_test[_i][_qp];
215 }
216 
217 Real
219 {
220  Real c = _u[_qp];
221 
222  for (unsigned int i = 0; i < _num_L; ++i)
223  if (jvar == _vals_var[i])
224  {
225 
226  RealGradient dsum_grad_L = _grad_phi[_j][_qp] * 0.5;
227  RealGradient dGradDFDConsdL;
228  switch (_log_approach)
229  {
230  case 0: // approach using tolerance
231  dGradDFDConsdL = -dsum_grad_L;
232  break;
233 
234  case 1: // approach using cancelation from the mobility
235  dGradDFDConsdL = -(1.0 + c) * dsum_grad_L;
236  break;
237 
238  case 2: // appraoch using substitution
239  dGradDFDConsdL = -dsum_grad_L;
240  break;
241 
242  case 3: // nothing special
243  dGradDFDConsdL = -dsum_grad_L;
244  break;
245  }
246 
247  return _M[_qp] * dGradDFDConsdL * _grad_test[_i][_qp];
248  }
249 
250  return 0.0;
251 }
const Real _a
Definition: CHPFCRFF.h:43
virtual unsigned int coupled(const std::string &var_name, unsigned int comp=0) const
const VariableGradient & _grad_u
static InputParameters validParams()
void addParam(const std::string &name, const std::initializer_list< typename T::value_type > &value, const std::string &doc_string)
const VariablePhiGradient & _grad_phi
const MooseEnum _log_approach
Definition: CHPFCRFF.h:35
std::vector< unsigned int > _vals_var
Definition: CHPFCRFF.h:39
const unsigned int _n_exp_terms
Definition: CHPFCRFF.h:42
virtual Real computeQpOffDiagJacobian(unsigned int jvar)
Definition: CHPFCRFF.C:218
virtual const VariableGradient & coupledGradient(const std::string &var_name, unsigned int comp=0) const
void addRequiredParam(const std::string &name, const std::string &doc_string)
CHPFCRFF(const InputParameters &parameters)
Definition: CHPFCRFF.C:37
virtual Real computeQpJacobian()
Definition: CHPFCRFF.C:127
const Real _tol
Definition: CHPFCRFF.h:36
This kernel calculates the main portion of the cahn-hilliard residual for the RFF form of the phase f...
Definition: CHPFCRFF.h:18
static InputParameters validParams()
Definition: CHPFCRFF.C:16
const Real _b
Definition: CHPFCRFF.h:44
const Real _c
Definition: CHPFCRFF.h:45
unsigned int _i
void addRequiredCoupledVar(const std::string &name, const std::string &doc_string)
unsigned int _j
std::vector< const VariableGradient * > _grad_vals
Definition: CHPFCRFF.h:40
DIE A HORRIBLE DEATH HERE typedef LIBMESH_DEFAULT_SCALAR_TYPE Real
const VariableTestGradient & _grad_test
const unsigned int _num_L
Definition: CHPFCRFF.h:38
void addClassDescription(const std::string &doc_string)
registerMooseObject("PhaseFieldApp", CHPFCRFF)
const MaterialProperty< Real > & _M
Definition: CHPFCRFF.h:31
const VariablePhiValue & _phi
MooseUnits pow(const MooseUnits &, int)
const VariableValue & _u
unsigned int _qp
virtual Real computeQpResidual()
Definition: CHPFCRFF.C:61