Add heat-source calibration and prepared for AdditiveFOAM 2.0.0 (#103)

* calibration for projected heat source models

* Updated calibration workflow for tabulated beam profile

* Doc: code and documentation clean up and consistency fixes for 2.0.0 release

* Correct projected heat source bounds and Kelly absorption

  - apply projected heat sources only below the beam plane
  - align source bounds with one-sided normalization
  - rename source bounds to sourceMin and sourceMax
  - preserve the configured Kelly aspect-ratio switch
  - apply etaMin as a lower bound on the Kelly curve
  - safely evaluate Kelly at zero aspect ratio
  - restore PRIMES profile output precision
  - update related documentation

* Cleanup

* Correct heat-source integration and release-gate issues (#103)

  - derive model-specific integration bounds from profileTol
  - synchronize heat-source dimensions, normalization, and shape state
  - preserve partial-time-step power at the end of scan paths
  - restrict transient depth calculations to one-sided source support
  - reconstruct the PRIMES calculation ROI and report D4Sigma statistics
  - correct refinement updates, MRF flux handling, boundary initialization,
    and exact thermodynamic-path node bracketing
  - update tutorials and release documentation for the 2.0.0 interfaces

* major refactor of proejcted heat sources to seperable radial and axial integrations

* Replace local NUTS calibration with posterior quadrature

  - integrate one-dimensional local posteriors deterministically
  - propagate stratified posterior samples through the robust global fit
  - update calibration configuration, reporting, documentation, and dependencies

* Refactor heat source models and reference dimensions

  - generalize profile metrics and D4Sigma reference widths
  - centralize heat-source width and depth references
  - simplify projected and super-Gaussian model interfaces
  - update calibration workflows, tutorials, and OpenFOAM 14 integration

* Doc: update CHANGELOG

Author: colemanjs

.github/workflows/CI.yml

@@ -42,4 +42,4 @@ jobs:
           cd userCase
           blockMesh
           decomposePar
-          mpirun -n 6 --oversubscribe --allow-run-as-root additiveFoam -parallel
+          mpirun -n 8 --oversubscribe --allow-run-as-root additiveFoam -parallel

Allwmake

@@ -10,7 +10,7 @@ cd ${0%/*} || exit 1    # Run from this directory
 #------------------------------------------------------------------------------
 # AdditiveFOAM build information
 
-GIT_DESCRIBE=$(git describe --tags --always 2>/dev/null) \
+GIT_DESCRIBE=$(git describe --tags --always --dirty 2>/dev/null) \
     || GIT_DESCRIBE="undefined"
 
 GIT_SHA1=$(git rev-parse HEAD 2>/dev/null) \

CHANGELOG.md

@@ -1,3 +1,91 @@
+# Release 2.0.0
+
+## Features
+
+- Ported AdditiveFOAM to OpenFOAM-14.
+- Added dynamic refinement models and reusable material and heat-source
+  configuration files.
+- Added a general projected heat source with super-Gaussian, nLight AFX, and
+  tabulated planar profiles and an exponential axial projection.
+- Added conversion of PRIMES beam measurements with `primesToAdditiveFoam`.
+- Added general planar-profile moment metrics, tabulated-profile inspection,
+  and automatic `D4Sigma` calculation.
+- Added rotated elliptical analytic profiles, `e2` and `secondMoment` radius
+  definitions, and selectable area-equivalent, major, or minor `D4Sigma`
+  reference widths.
+- Added model-specific heat-source bounds that retain at least
+  `1-tolerance` of the analytical source power.
+- Added support-based heat-source quadrature.
+- Added an adaptive Bayesian workflow with deterministic posterior quadrature
+  for calibrating the projected heat-source axial closure.
+- Expanded the AMB2018, multi-beam, multi-layer, nLight AFX, and tabulated
+  tutorials.
+
+## Bug fixes
+
+- Made all heat sources one-sided, consistent with their analytic
+  normalization.
+- Synchronized heat-source depth, shape parameters, normalization, and bounds
+  once before beam subcycling.
+- Preserved the active-power fraction when a solver time step crosses the end
+  of a scan path.
+- Restricted isotherm source-depth measurements to the planar source support
+  below the beam plane and removed a modified super-Gaussian endpoint
+  singularity.
+- Added calculation-ROI reconstruction, coordinate-preserving support cropping,
+  and beam-statistics reporting to `primesToAdditiveFoam`.
+- Preserved an explicitly configured Kelly `aspectRatioSwitch` value and
+  applied `etaMin` as a lower bound on the Kelly absorption curve.
+
+## Upgrade notes
+
+- AdditiveFOAM 2.0 requires OpenFOAM-14. Source the OpenFOAM-14 environment
+  before sourcing `etc/bashrc` and rebuild AdditiveFOAM with `./Allwmake`.
+- Sources now use nested `absorption`, `heatSource`, `profile`, `projection`,
+  and `refinement` dictionaries with a `model` entry instead of `*Coeffs`
+  dictionaries.
+- The former projected Gaussian, nLight AFX, and tabulated heat-source models
+  are profiles selected by the `projected` model. Their shared axial model is
+  selected in the `projection` dictionary.
+- `superGaussian` remains a volumetric model and is also a planar profile.
+  `radius` is two-dimensional and `depth` is a separate scalar.
+- The tabulated profile derives its D4Sigma metrics from the beam-profile
+  table. No user-supplied lateral dimensions are required.
+- Profile metrics expose `D4Sigma` as `(major minor)`. Reference dimensions
+  select the scalar width and constant or isotherm depth used by aspect-ratio
+  closures.
+- Aspect-ratio closures use a `D4Sigma` width reference, with selectable
+  `areaEquivalent`, `major`, or `minor` component, and a `constant` or
+  `isotherm` depth reference.
+- The `A` and `B` projected-depth coefficients are named `nSlope` and
+  `nIntercept` in the `projection` dictionary.
+- Python 3.10 through 3.12 and the packages in `requirements.txt` are required
+  only for the calibration and plotting utilities.
+
+## Full Changelog
+
+For a complete list of changes, see the [full changelog](https://github.com/ORNL/AdditiveFOAM/compare/1.2.0...2.0.0).
+
+
+# Release 1.2.0
+
+## Features
+
+- Added the projected Gaussian heat-source model.
+- Added melt-pool-dimension and solidification-data function objects.
+- Added optional implicit temperature limiting through the PIMPLE dictionary.
+- Added multi-layer scan-path support and updated the ExaCA tutorials.
+- Added the top-level build script for solvers and utilities.
+
+## Bug Fixes
+
+- Corrected thermophysical file handling for cases launched with `-case`.
+
+## Full Changelog
+
+For a complete list of changes, see the [full changelog](https://github.com/ORNL/AdditiveFOAM/compare/1.1.0...1.2.0).
+
+
 # Release 1.1
 
 ## Features

LICENSE

@@ -1,7 +1,7 @@
                     GNU GENERAL PUBLIC LICENSE
 
  Copyright (C) 2011-2017 OpenFOAM Foundation
- Copyright (C) 2023      Oak Ridge National Laboratory
+ Copyright (C) 2023-2026 Oak Ridge National Laboratory
 
  You may use, distribute and copy AdditiveFOAM under the terms
  of GNU General Public License version 3, which is displayed below, or

README.md

@@ -11,8 +11,10 @@ The documentation for `AdditiveFOAM` is hosted on [GitHub Pages](https://ornl.gi
 ### Repository Features
 | Link                                                | Description                              |
 |-----------------------------------------------------------|------------------------------------------|
-| [solver](applications/solvers/additiveFoam)               | Development version of the solver        |
+| [solver](applications/solvers/additiveFoam)               | AdditiveFOAM solver source                |
 | [tutorials](tutorials)                                     | Tutorial cases |
+| [calibration utility](bin/calibrateHeatSource)             | Heat-source calibration command |
+| [calibration tutorial](tutorials/heatSourceCalibration)    | Projected heat-source calibration workflow |
 
 ## Installation
 [![OpenFOAM-14](https://img.shields.io/badge/OpenFOAM-14-blue.svg)](https://github.com/OpenFOAM/OpenFOAM-14)
@@ -42,8 +44,28 @@ script from the repository root:
 ./Allwmake
 ```
 
-For regular use, source both environments in each new shell or add them to your
-shell startup file:
+The Python utilities require Python 3.10 through 3.12. To use a dedicated
+virtual environment, create it and install the pinned dependencies from the
+repository root:
+
+```sh
+python3 -m venv .venv
+. .venv/bin/activate
+python -m pip install -r requirements.txt
+python -m pip check
+calibrateHeatSource --help
+```
+
+To use an existing Python environment instead, activate that environment and
+install the same requirements into it:
+
+```sh
+python -m pip install -r /path/to/AdditiveFOAM/requirements.txt
+python -m pip check
+```
+
+The AdditiveFOAM environment does not create or activate a Python environment.
+Source the OpenFOAM and AdditiveFOAM environments in each new shell:
 
 ```sh
 source /path/to/OpenFOAM-14/etc/bashrc

applications/solvers/additiveFoam/additiveFoam.C

@@ -42,6 +42,12 @@ Description
 
 #include "fvmDiv.H"
 #include "fvmDdt.H"
+#include "fvcDdt.H"
+#include "fvcFlux.H"
+#include "fvcLaplacian.H"
+#include "fvcMeshPhi.H"
+#include "fvcReconstruct.H"
+#include "fvcSnGrad.H"
 #include "fvcSurfaceIntegrate.H"
 #include "fvcVolumeIntegrate.H"
 #include "fvmLaplacian.H"
@@ -56,7 +62,7 @@ Description
 #include "CrankNicolsonDdtScheme.H"
 
 #include "additiveFoamInfo.H"
-#include "movingHeatSourceModel.H"
+#include "movingHeatSources.H"
 #include "thermoPath.H"
 #include "interpolateXY.H"
 
@@ -82,7 +88,7 @@ int main(int argc, char *argv[])
     // Initialize time-stepping controls
     scalar DiNum = 0.0;
     scalar alphaCoNum = 0.0;
-    movingHeatSourceModel sources(mesh);
+    movingHeatSources sources(mesh);
 
     Info<< "\nStarting time loop\n" << endl;
 

applications/solvers/additiveFoam/derivedFvPatchFields/marangoni/marangoniFvPatchVectorField.H

@@ -36,8 +36,8 @@ SourceFiles
 
 \*---------------------------------------------------------------------------*/
 
-#ifndef BC_H
-#define BC_H
+#ifndef marangoniFvPatchVectorField_H
+#define marangoniFvPatchVectorField_H
 
 #include "fvPatchFields.H"
 #include "transformFvPatchFields.H"

applications/solvers/additiveFoam/derivedFvPatchFields/mixedTemperature/mixedTemperatureFvPatchScalarField.C

@@ -78,7 +78,10 @@ mixedTemperatureFvPatchScalarField
     valueFraction() = 0.0;
 
     refValue() = scalarField("Tinf", dict, p.size());
-    fvPatchScalarField::operator=(refValue());
+    fvPatchScalarField::operator=
+    (
+        scalarField("value", iF.dimensions(), dict, p.size())
+    );
 }
 
 

applications/solvers/additiveFoam/derivedFvPatchFields/mixedTemperature/mixedTemperatureFvPatchScalarField.H

@@ -47,6 +47,7 @@ Usage
         h          | Uniform convection coeff     | yes    |
         emissivity | Uniform surface emissivity   | no     | transportProperties
         Tinf       | Ambient temperature          | yes    |
+        value      | Initial patch temperature    | yes    |
     \endtable
 
     Example of the boundary condition specification:
@@ -55,6 +56,8 @@ Usage
     {
         type       mixedTemperature;
         h          10.0;
+        Tinf       uniform 300;
+        value      uniform 300;
     }
     \endverbatim
 
@@ -63,8 +66,8 @@ SourceFiles
 
 \*---------------------------------------------------------------------------*/
 
-#ifndef BC_H
-#define BC_H
+#ifndef mixedTemperatureFvPatchScalarField_H
+#define mixedTemperatureFvPatchScalarField_H
 
 #include "mixedFvPatchFields.H"
 #include "Function1.H"

applications/solvers/additiveFoam/functionObjects/meltPoolDimensions/meltPoolDimensions.C

@@ -5,7 +5,7 @@
     \\  /    A nd           | Copyright (C) 2024 OpenFOAM Foundation
      \\/     M anipulation  |
 -------------------------------------------------------------------------------
-                Copyright (C) 2023 Oak Ridge National Laboratory
+                Copyright (C) 2023-2026 Oak Ridge National Laboratory
 -------------------------------------------------------------------------------
 License
     This file is part of OpenFOAM.
@@ -247,7 +247,7 @@ bool Foam::functionObjects::meltPoolDimensions::execute()
             // physical boundary : take face point if above iso value
             const vectorField& Cf = mesh_.Cf().boundaryField()[patchi];
 
-            const scalarField& pif(TPf.patchInternalField());
+            const scalarField pif(TPf.patchInternalField());
 
             forAll(faceCells, facei)
             {