1
2
3
4
5
6
7
8
9
10
11
12
13
14
15
16
17
18
19
20
21
22
23
24
25
26
27
28
29
30
31
32
33
34
35
36
37
38
39
40
41
42
43
44
45
46
47
48
49
50
51
52
53
54
55
56
57
58
59
60
61
62
63
64
65
66
67
68
69
70
71
72
73
74
75
76
77
78
79
80
81
82
83
84
85
86
87
88
89
90
91
92
93
94
95
96
97
98
99
100
101
102
103
104
105
106
107
108
109
110
111
112
113
114
115
116
117
118
119
120
121
122
123
124
125
126
127
128
129
130
131
132
133
134
135
136
137
138
139
140
141
142
143
144
145
146
147
148
149
150
151
152
153
154
155
156
157
|
#include "WeakEquationMomentum.h"
#include "Material.h"
#include "LammpsInterface.h"
namespace ATC {
//==============================================================
// Class WeakEquationMomentum
//==============================================================
//--------------------------------------------------------------
// Constructor
//--------------------------------------------------------------
WeakEquationMomentum::WeakEquationMomentum()
: WeakEquation(DYNAMIC_PDE,VELOCITY,3)
{}
//--------------------------------------------------------------
// Destructor
//--------------------------------------------------------------
WeakEquationMomentum::~WeakEquationMomentum()
{}
//---------------------------------------------------------------------
// compute mass density
//---------------------------------------------------------------------
void WeakEquationMomentum::M_integrand(
const FIELD_MATS &fields,
const Material * material,
DENS_MAT & density ) const
{
material->mass_density(fields, density);
}
//--------------------------------------------------------------
void WeakEquationMomentum::B_integrand(
const FIELD_MATS &fields,
const GRAD_FIELD_MATS &grad_fields,
const Material * material,
DENS_MAT_VEC &flux) const
{
material->stress(fields, grad_fields, flux);
}
//--------------------------------------------------------------
bool WeakEquationMomentum::N_integrand(
const FIELD_MATS &fields,
const GRAD_FIELD_MATS &grad_fields,
const Material * material,
DENS_MAT &flux) const
{
return material->body_force(fields, flux);
}
//--------------------------------------------------------------
void WeakEquationMomentum::E_integrand(
const FIELD_MATS &fields,
const GRAD_FIELD_MATS &grad_fields,
const Material * material,
DENS_MAT &energy) const
{
material->elastic_energy(fields, grad_fields, energy);
}
//==============================================================
// Class WeakEquationMomentumElectrostatic
//==============================================================
//--------------------------------------------------------------
// Constructor
//--------------------------------------------------------------
WeakEquationMomentumElectrostatic::WeakEquationMomentumElectrostatic()
: WeakEquationMomentum()
{
// convert charge * electric field --> force
qE2f_ = (ATC::LammpsInterface::instance()->qe2f());
_E_.assign(3, DENS_MAT());
}
//--------------------------------------------------------------
bool WeakEquationMomentumElectrostatic::N_integrand(
const FIELD_MATS &fields,
const GRAD_FIELD_MATS &grad_fields,
const Material * material,
DENS_MAT &flux) const
{
material->electric_field(fields, grad_fields, _E_);
// "conversion" of grad scalar to vector field
int nsd = _E_.size();
flux.resize(_E_[0].nRows(),nsd);
FIELD_MATS::const_iterator nField = fields.find(ELECTRON_DENSITY);
const DENS_MAT & n = nField->second;
for (int i=0; i < nsd; i++) {
CLON_VEC fi = column(flux,i);
fi = _E_[i];
fi *= -qE2f_*n;
}
return true;
}
//==============================================================
// Class WeakEquationMomentumDiffusion
//==============================================================
//--------------------------------------------------------------
// Constructor
//--------------------------------------------------------------
WeakEquationMomentumDiffusion::WeakEquationMomentumDiffusion()
: WeakEquation(DYNAMIC_PDE,VELOCITY,3)
{}
//--------------------------------------------------------------
// Destructor
//--------------------------------------------------------------
WeakEquationMomentumDiffusion::~WeakEquationMomentumDiffusion()
{}
//---------------------------------------------------------------------
// compute mass density
//---------------------------------------------------------------------
void WeakEquationMomentumDiffusion::M_integrand(
const FIELD_MATS &fields,
const Material * material,
DENS_MAT & density ) const
{
material->mass_density(fields, density);
}
//--------------------------------------------------------------
void WeakEquationMomentumDiffusion::B_integrand(
const FIELD_MATS &fields,
const GRAD_FIELD_MATS &grad_fields,
const Material * material,
DENS_MAT_VEC &flux) const
{
material->viscous_stress(fields, grad_fields, flux);
}
//---------------------------------------------------------------------
void WeakEquationMomentumDiffusion::BB_tangent_coefficients(
const FieldName field,
const FIELD_MATS &fields,
const Material* material,
DENS_MAT &coefs) const
{
material->viscosity(fields,coefs);
}
//--------------------------------------------------------------
bool WeakEquationMomentumDiffusion::N_integrand(
const FIELD_MATS &fields,
const GRAD_FIELD_MATS &grad_fields,
const Material * material,
DENS_MAT &flux) const
{
return material->body_force(fields, flux);
}
}; // END namespace
|
