Line data Source code
1 : //* This file is part of the MOOSE framework
2 : //* https://mooseframework.inl.gov
3 : //*
4 : //* All rights reserved, see COPYRIGHT for full restrictions
5 : //* https://github.com/idaholab/moose/blob/master/COPYRIGHT
6 : //*
7 : //* Licensed under LGPL 2.1, please see LICENSE for details
8 : //* https://www.gnu.org/licenses/lgpl-2.1.html
9 :
10 : #include "CHPFCRFF.h"
11 : #include "MathUtils.h"
12 :
13 : registerMooseObject("PhaseFieldApp", CHPFCRFF);
14 :
15 : InputParameters
16 92 : CHPFCRFF::validParams()
17 : {
18 92 : InputParameters params = Kernel::validParams();
19 92 : params.addClassDescription(
20 : "Cahn-Hilliard residual for the RFF form of the phase field crystal model");
21 184 : params.addRequiredCoupledVar("v", "Array of names of the real parts of the L variables");
22 184 : MooseEnum log_options("tolerance cancelation expansion nothing");
23 184 : params.addRequiredParam<MooseEnum>(
24 : "log_approach", log_options, "Which approach will be used to handle the natural log");
25 184 : params.addParam<Real>("tol", 1.0e-9, "Tolerance used when the tolerance approach is chosen");
26 184 : params.addParam<Real>(
27 184 : "n_exp_terms", 4, "Number of terms used in the Taylor expansion of the natural log term");
28 184 : params.addParam<MaterialPropertyName>("mob_name", "M", "The mobility used with the kernel");
29 184 : params.addParam<MaterialPropertyName>("Dmob_name", "DM", "The D mobility used with the kernel");
30 184 : params.addParam<bool>("has_MJac", false, "Jacobian information for the mobility is defined");
31 184 : params.addParam<Real>("a", 1.0, "Constants on Taylor Series");
32 184 : params.addParam<Real>("b", 1.0, "Constants on Taylor Series");
33 184 : params.addParam<Real>("c", 1.0, "Constants on Taylor Series");
34 92 : return params;
35 92 : }
36 :
37 48 : CHPFCRFF::CHPFCRFF(const InputParameters & parameters)
38 : : Kernel(parameters),
39 48 : _M(getMaterialProperty<Real>("mob_name")),
40 96 : _has_MJac(getParam<bool>("has_MJac")),
41 48 : _DM(_has_MJac ? &getMaterialProperty<Real>("Dmob_name") : NULL),
42 96 : _log_approach(getParam<MooseEnum>("log_approach")),
43 96 : _tol(getParam<Real>("tol")),
44 48 : _num_L(coupledComponents("v")),
45 48 : _vals_var(_num_L),
46 48 : _grad_vals(_num_L),
47 96 : _n_exp_terms(getParam<Real>("n_exp_terms")),
48 96 : _a(getParam<Real>("a")),
49 96 : _b(getParam<Real>("b")),
50 144 : _c(getParam<Real>("c"))
51 : {
52 : // Loop through grains and load coupled gradients into the arrays
53 288 : for (unsigned int i = 0; i < _num_L; ++i)
54 : {
55 240 : _vals_var[i] = coupled("v", i);
56 240 : _grad_vals[i] = &coupledGradient("v", i);
57 : }
58 48 : }
59 :
60 : Real
61 483840 : CHPFCRFF::computeQpResidual()
62 : {
63 483840 : Real c = _u[_qp];
64 483840 : RealGradient grad_c = _grad_u[_qp];
65 : RealGradient sum_grad_L;
66 :
67 2903040 : for (unsigned int i = 0; i < _num_L; ++i)
68 2419200 : sum_grad_L += (*_grad_vals[i])[_qp] * 0.5;
69 :
70 : Real frac = 0.0;
71 : Real ln_expansion = 0.0;
72 :
73 483840 : switch (_log_approach)
74 : {
75 64512 : case 0: // approach using tolerance
76 64512 : if (1.0 + c < _tol)
77 0 : frac = 1.0 / _tol;
78 : else
79 64512 : frac = 1.0 / (1.0 + c);
80 : break;
81 :
82 : case 2:
83 1854720 : 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 1499904 : if (i == 2)
88 354816 : temp_coeff = _c;
89 1145088 : else if (i == 3)
90 354816 : temp_coeff = _a;
91 790272 : else if (i == 4)
92 354816 : temp_coeff = _b;
93 : else
94 : temp_coeff = 1.0;
95 :
96 1499904 : 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 483840 : switch (_log_approach)
104 : {
105 : case 0: // approach using tolerance
106 : GradDFDCons = grad_c * frac - sum_grad_L;
107 64512 : break;
108 :
109 64512 : case 1: // approach using cancelation from the mobility
110 64512 : GradDFDCons = grad_c - (1.0 + c) * sum_grad_L;
111 64512 : break;
112 :
113 : case 2: // appraoch using substitution
114 : GradDFDCons = ln_expansion * grad_c - sum_grad_L;
115 354816 : break;
116 :
117 0 : case 3: // Just using the log
118 0 : GradDFDCons = grad_c / (1.0 + c) - sum_grad_L;
119 0 : break;
120 : }
121 :
122 483840 : Real residual = _M[_qp] * GradDFDCons * _grad_test[_i][_qp];
123 483840 : return residual;
124 : }
125 :
126 : Real
127 903168 : CHPFCRFF::computeQpJacobian()
128 : {
129 903168 : Real c = _u[_qp];
130 903168 : RealGradient grad_c = _grad_u[_qp];
131 : RealGradient sum_grad_L;
132 :
133 5419008 : for (unsigned int i = 0; i < _num_L; ++i)
134 4515840 : 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 903168 : switch (_log_approach)
141 : {
142 193536 : case 0: // approach using tolerance
143 193536 : if (1.0 + c < _tol)
144 : {
145 0 : frac = 1.0 / _tol;
146 0 : dfrac = -1.0 / (_tol * _tol);
147 : }
148 : else
149 : {
150 193536 : frac = 1.0 / (1.0 + c);
151 193536 : dfrac = -1.0 / ((1.0 + c) * (1.0 + c));
152 : }
153 : break;
154 :
155 : case 2:
156 2838528 : 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 2322432 : if (i == 2)
161 516096 : temp_coeff = _c;
162 1806336 : else if (i == 3)
163 516096 : temp_coeff = _a;
164 1290240 : else if (i == 4)
165 516096 : temp_coeff = _b;
166 : else
167 : temp_coeff = 1.0;
168 :
169 2322432 : 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 903168 : switch (_log_approach)
178 : {
179 193536 : case 0: // approach using tolerance
180 193536 : dGradDFDConsdC = _grad_phi[_j][_qp] * frac + _phi[_j][_qp] * grad_c * dfrac;
181 193536 : break;
182 :
183 193536 : case 1: // approach using cancelation from the mobility
184 193536 : dGradDFDConsdC = _grad_phi[_j][_qp] - _phi[_j][_qp] * sum_grad_L;
185 193536 : break;
186 :
187 : case 2: // appraoch using substitution
188 2838528 : for (unsigned int i = 2; i < (_n_exp_terms + 2.0); ++i)
189 : {
190 : Real temp_coeff;
191 2322432 : if (i == 2)
192 516096 : temp_coeff = _c;
193 1806336 : else if (i == 3)
194 516096 : temp_coeff = _a;
195 1290240 : else if (i == 4)
196 516096 : temp_coeff = _b;
197 : else
198 : temp_coeff = 1.0;
199 :
200 2322432 : Dln_expansion += temp_coeff * std::pow(static_cast<Real>(-1.0), static_cast<Real>(i)) *
201 2322432 : (static_cast<Real>(i) - 2.0) *
202 2322432 : std::pow(_u[_qp], static_cast<Real>(i) - 3.0);
203 : }
204 :
205 516096 : dGradDFDConsdC = ln_expansion * _grad_phi[_j][_qp] + _phi[_j][_qp] * Dln_expansion * grad_c;
206 516096 : break;
207 :
208 0 : case 3: // Nothing special
209 : dGradDFDConsdC =
210 0 : _grad_phi[_j][_qp] / (1.0 + c) - grad_c / ((1.0 + c) * (1.0 + c)) * _phi[_j][_qp];
211 0 : break;
212 : }
213 :
214 903168 : return _M[_qp] * dGradDFDConsdC * _grad_test[_i][_qp];
215 : }
216 :
217 : Real
218 5806080 : CHPFCRFF::computeQpOffDiagJacobian(unsigned int jvar)
219 : {
220 5806080 : Real c = _u[_qp];
221 :
222 25159680 : for (unsigned int i = 0; i < _num_L; ++i)
223 22579200 : if (jvar == _vals_var[i])
224 : {
225 :
226 3225600 : RealGradient dsum_grad_L = _grad_phi[_j][_qp] * 0.5;
227 : RealGradient dGradDFDConsdL;
228 3225600 : switch (_log_approach)
229 : {
230 : case 0: // approach using tolerance
231 : dGradDFDConsdL = -dsum_grad_L;
232 967680 : break;
233 :
234 967680 : case 1: // approach using cancelation from the mobility
235 967680 : dGradDFDConsdL = -(1.0 + c) * dsum_grad_L;
236 967680 : break;
237 :
238 : case 2: // appraoch using substitution
239 : dGradDFDConsdL = -dsum_grad_L;
240 1290240 : break;
241 :
242 : case 3: // nothing special
243 : dGradDFDConsdL = -dsum_grad_L;
244 0 : break;
245 : }
246 :
247 3225600 : return _M[_qp] * dGradDFDConsdL * _grad_test[_i][_qp];
248 : }
249 :
250 : return 0.0;
251 : }
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