BornAgain  1.19.0
Simulate and fit neutron and x-ray scattering at grazing incidence
Materials

Classes and functions to describe magnetic and non-magnetic materials. More...

Classes

class  BaseMaterialImpl
 Interface for material implementation classes. More...
 
class  MagneticMaterialImpl
 Basic implementation for magnetized material. More...
 
class  Material
 A wrapper for underlying material implementation. More...
 
class  MaterialBySLDImpl
 Material implementation based on wavelength-independent data (valid for a range of wavelengths) More...
 
class  RefractiveMaterialImpl
 Material implementation based on refractive coefficiencts (valid for one wavelength value only) More...
 

Functions

Material createAveragedMaterial (const Material &layer_mat, const std::vector< HomogeneousRegion > &regions)
 Creates averaged material. More...
 
Material HomogeneousMaterial ()
 
Material HomogeneousMaterial (const std::string &name, complex_t refractive_index, kvector_t magnetization={})
 Constructs a material with name, refractive_index and magnetization (in A/m). More...
 
Material HomogeneousMaterial (const std::string &name, double delta, double beta, kvector_t magnetization={})
 
Material MaterialBySLD ()
 
Material MaterialBySLD (const std::string &name, double sld_real, double sld_imag, kvector_t magnetization={})
 Constructs a wavelength-independent material with a given complex-valued scattering length density (SLD). More...
 

Detailed Description

Classes and functions to describe magnetic and non-magnetic materials.

Function Documentation

◆ createAveragedMaterial()

Material createAveragedMaterial ( const Material layer_mat,
const std::vector< HomogeneousRegion > &  regions 
)

Creates averaged material.

Square refractive index of returned material is arithmetic mean over regions and layer_mat. Magnetization (if present) is averaged linearly.

Definition at line 37 of file HomogeneousRegion.cpp.

39 {
40  // determine the type of returned material
41  std::vector<const Material*> materials(regions.size() + 1);
42  materials[0] = &layer_mat;
43  for (size_t i = 0, regions_size = regions.size(); i < regions_size; ++i)
44  materials[i + 1] = &regions[i].m_material;
45  const MATERIAL_TYPES avr_material_type = MaterialUtils::checkMaterialTypes(materials);
46  if (avr_material_type == MATERIAL_TYPES::InvalidMaterialType)
47  throw std::runtime_error("Error in createAveragedMaterial(): non-default materials of "
48  "different types used simultaneously.");
49 
50  // create the name of returned material
51  const std::string avr_mat_name = layer_mat.getName() + "_avg";
52 
53  // calculate averaged magnetization
54  const kvector_t mag_avr = averageData<kvector_t>(
55  layer_mat, regions, [](const Material& mat) { return mat.magnetization(); });
56 
57  if (avr_material_type == MATERIAL_TYPES::RefractiveMaterial) {
58  // avrData returns (1 - mdc)^2 - 1, where mdc is material data conjugate
59  auto avrData = [](const Material& mat) -> complex_t {
60  const complex_t mdc = std::conj(mat.materialData());
61  return mdc * mdc - 2.0 * mdc;
62  };
63  const complex_t avr_mat_data =
64  std::conj(1.0 - std::sqrt(1.0 + averageData<complex_t>(layer_mat, regions, avrData)));
65  return HomogeneousMaterial(avr_mat_name, avr_mat_data.real(), avr_mat_data.imag(), mag_avr);
66  } else if (avr_material_type == MATERIAL_TYPES::MaterialBySLD) {
67  complex_t (*avrData)(const Material&) = [](const Material& mat) {
68  return mat.materialData();
69  };
70  const complex_t avr_mat_data = averageData<complex_t>(layer_mat, regions, avrData);
71  return MaterialBySLD(avr_mat_name, avr_mat_data.real(), avr_mat_data.imag(), mag_avr);
72  } else
73  throw std::runtime_error("Error in CalculateAverageMaterial: unknown material type.");
74 }
MATERIAL_TYPES
std::complex< double > complex_t
Definition: Complex.h:20
A wrapper for underlying material implementation.
Definition: Material.h:29
kvector_t magnetization() const
Get the magnetization (in A/m)
Definition: Material.cpp:76
std::string getName() const
Returns the name of material.
Definition: Material.cpp:66
complex_t materialData() const
Returns underlying material data.
Definition: Material.cpp:81
Material HomogeneousMaterial(const std::string &name, complex_t refractive_index, kvector_t magnetization)
Constructs a material with name, refractive_index and magnetization (in A/m).
Material MaterialBySLD()
MATERIAL_TYPES checkMaterialTypes(const std::vector< const Material * > &materials)
Checks if all non-default materials in materials are of the same type and returns this type.

References MaterialUtils::checkMaterialTypes(), Material::getName(), HomogeneousMaterial(), InvalidMaterialType, Material::magnetization(), MaterialBySLD, Material::materialData(), and RefractiveMaterial.

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◆ HomogeneousMaterial() [1/3]

Material HomogeneousMaterial ( )

Definition at line 37 of file MaterialFactoryFuncs.cpp.

38 {
39  return HomogeneousMaterial("vacuum", 0.0, 0.0, kvector_t{});
40 }

References HomogeneousMaterial().

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◆ HomogeneousMaterial() [2/3]

Material HomogeneousMaterial ( const std::string &  name,
complex_t  refractive_index,
kvector_t  magnetization = {} 
)

Constructs a material with name, refractive_index and magnetization (in A/m).

Alternatively, $\delta$ and $\beta$ for refractive index $n = 1 - \delta + i \beta$ can be passed directly. With no parameters given, constructs default (vacuum) material with $n = 1$ and zero magnetization.

Definition at line 21 of file MaterialFactoryFuncs.cpp.

23 {
24  const double delta = 1.0 - refractive_index.real();
25  const double beta = refractive_index.imag();
26  return HomogeneousMaterial(name, delta, beta, magnetization);
27 }
QString const & name(EShape k)
Definition: particles.cpp:21

References RealSpace::Particles::name().

Referenced by CoreShellParticleBuilder::buildSample(), HomogeneousMultilayerBuilder::buildSample(), MagneticSubstrateZeroFieldBuilder::buildSample(), MagneticLayerBuilder::buildSample(), MagneticRotationBuilder::buildSample(), MagneticParticleZeroFieldBuilder::buildSample(), MagneticCylindersBuilder::buildSample(), MagneticSpheresBuilder::buildSample(), MultiLayerWithRoughnessBuilder::buildSample(), ResonatorBuilder::buildSample(), SlicedCylindersBuilder::buildSample(), createAveragedMaterial(), MaterialItem::createMaterial(), and HomogeneousMaterial().

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◆ HomogeneousMaterial() [3/3]

Material HomogeneousMaterial ( const std::string &  name,
double  delta,
double  beta,
kvector_t  magnetization = {} 
)

Definition at line 31 of file MaterialFactoryFuncs.cpp.

31 {
32  std::unique_ptr<RefractiveMaterialImpl> mat_impl(
33  new RefractiveMaterialImpl(name, delta, beta, magnetization));
34  return Material(std::move(mat_impl));
35 }
Material implementation based on refractive coefficiencts (valid for one wavelength value only)

References RealSpace::Particles::name().

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◆ MaterialBySLD() [1/2]

Material MaterialBySLD ( )

Definition at line 42 of file MaterialFactoryFuncs.cpp.

43 {
44  return MaterialBySLD("vacuum", 0.0, 0.0, kvector_t{});
45 }

Referenced by createAveragedMaterial(), and gui2::Utils::createBornAgainSlices().

◆ MaterialBySLD() [2/2]

Material MaterialBySLD ( const std::string &  name,
double  sld_real,
double  sld_imag,
kvector_t  magnetization = {} 
)

Constructs a wavelength-independent material with a given complex-valued scattering length density (SLD).

SLD values for a wide variety of materials can be found on https://sld-calculator.appspot.com/ and https://www.ncnr.nist.gov/resources/activation/ By convention, SLD imaginary part is treated as negative by default, which corresponds to attenuation of the signal. With no parameters given, MaterialBySLD constructs default (vacuum) material with zero sld and zero magnetization.

Parameters
namematerial name
sld_realreal part of the scattering length density, inverse square angstroms
sld_imagimaginary part of the scattering length density, inverse square angstroms
magnetizationmagnetization (in A/m)

Definition at line 31 of file MaterialFactoryFuncs.cpp.

49 {
50  constexpr double inv_sq_angstroms = 1.0 / (Units::angstrom * Units::angstrom);
51  std::unique_ptr<MaterialBySLDImpl> mat_impl(new MaterialBySLDImpl(
52  name, sld_real * inv_sq_angstroms, sld_imag * inv_sq_angstroms, magnetization));
53  return Material(std::move(mat_impl));
54 }
Material implementation based on wavelength-independent data (valid for a range of wavelengths)
static constexpr double angstrom
Definition: Units.h:34