Add target keff not equal to 1

.gitmodules

@@ -40,3 +40,6 @@
 [submodule "contrib/embree"]
 	path = contrib/embree
 	url = https://github.com/RenderKit/embree.git
+[submodule "contrib/nuclear_data"]
+	path = contrib/nuclear_data
+	url = https://github.com/OTU-Centre-for-SMRs/nuclear_data.git

Makefile

@@ -186,6 +186,8 @@ OPENMC_INCLUDES := -I$(OPENMC_INSTALL_DIR)/include
 OPENMC_LIBDIR := $(OPENMC_INSTALL_DIR)/lib
 OPENMC_LIB := $(OPENMC_LIBDIR)/libopenmc.so
 
+ADDITIONAL_INCLUDES += -I$(CONTRIB_DIR)/nuclear_data
+
 # This is used in $(FRAMEWORK_DIR)/build.mk
 HDF5_INCLUDES       := -I$(HDF5_INCLUDE_DIR) -I$(HDF5_ROOT)/include
 

config/check_deps.mk

@@ -6,6 +6,7 @@ endef
 # Set default values for all third party dependencies
 NEKRS_DIR           ?= $(CONTRIB_DIR)/nekRS
 OPENMC_DIR          ?= $(CONTRIB_DIR)/openmc
+NUCLEARDATA_DIR     ?= $(CONTRIB_DIR)/nuclear_data
 DAGMC_DIR           ?= $(CONTRIB_DIR)/DAGMC
 DOUBLEDOWN_DIR      ?= $(CONTRIB_DIR)/double-down
 EMBREE_DIR          ?= $(CONTRIB_DIR)/embree
@@ -23,6 +24,7 @@ IAPWS95_DIR         ?= $(CONTRIB_DIR)/iapws95
 MOOSE_CONTENT      := $(shell ls $(MOOSE_DIR) 2> /dev/null)
 NEKRS_CONTENT      := $(shell ls $(NEKRS_DIR) 2> /dev/null)
 OPENMC_CONTENT     := $(shell ls $(OPENMC_DIR) 2> /dev/null)
+NUCLEARDATA_CONTENT:= $(shell ls $(NUCLEARDATA_DIR) 2> /dev/null)
 DAGMC_CONTENT      := $(shell ls $(DAGMC_DIR) 2> /dev/null)
 DOUBLEDOWN_CONTENT := $(shell ls $(DOUBLEDOWN_DIR) 2> /dev/null)
 EMBREE_CONTENT     := $(shell ls $(EMBREE_DIR) 2> /dev/null)
@@ -90,6 +92,12 @@ ifeq ($(ENABLE_OPENMC), yes)
     $(info Cardinal is using OpenMC from          $(OPENMC_DIR))
   endif
 
+  ifeq ($(NUCLEARDATA_CONTENT),)
+    $(error $n"nuclear_data does not seem to be available, but ENABLE_OPENMC is enabled. Make sure that the submodule is checked out.$n$nTo fetch the nuclear_data submodule, use ./scripts/get-dependencies.sh")
+  else
+    # we dont print out anything about where nuclear_data is coming from because it's a minor dependency and we don't expect anyone to be using different versions of it (and we don't want to confuse them on the cross section library data)
+  endif
+
   openmc_status := $(shell git -C $(CONTRIB_DIR) submodule status 2>/dev/null | grep openmc | cut -c1)
   ifneq (,$(findstring +,$(openmc_status)))
     $(warning $n"***WARNING***: Your OpenMC submodule is not pointing to the commit tied to Cardinal.$n                To fetch the paired commit, use ./scripts/get-dependencies.sh"$n)

doc/content/publications.md

@@ -145,6 +145,10 @@ H. Park, Y. Yu, E. Shemon, and A. Novak,
 
 # Sodium Fast Reactors
 
+A.J. Novak, C. Bourdot Dutra, D. Shaver, and E. Merzari,
+["CFD Simulations of Interassembly Bypass Flow in Sodium Fast Reactors"](https://www.sciencedirect.com/science/article/pii/S0029549325002213)
+*Nuclear Engineering and Design* (2025)
+
 A.J. Novak, C. Bourdot Dutra, D. Shaver, and E. Merzari,
 ["NekRS CFD Simulations of Interassembly Flow in Sodium Fast Reactors"](https://www.researchgate.net/publication/373331042_NekRS_CFD_Simulations_of_Interassembly_Flow_in_Sodium_Fast_Reactors)
 *Proceedings of Nureth* (2023)

doc/content/source/actions/AddCriticalitySearchAction.md

@@ -0,0 +1,56 @@
+# AddCriticalitySearchAction
+
+## Overview
+
+The `AddCriticalitySearchAction` is responsible for performing a complete criticality
+search during the OpenMC solve. Examples of parameters which can be used for the
+criticality search include:
+
+- [OpenMCMaterialDensity](OpenMCMaterialDensity.md), to change a material's total density
+- [BoratedWater](BoratedWater.md), to change the boron weight ppm in water
+
+The converged value of the criticality search will automatically be populated into
+a postprocessor named `critical_value`.
+
+!alert warning
+If the convergence `tolerance` is too small (on the order of or smaller than the statistical standard deviation),
+convergence may not be possible. If the search fails to converge, use a looser `tolerance` or
+increase the number of particles.
+
+## Example Input File Syntax
+
+As an example, a [OpenMCMaterialDensity](OpenMCMaterialDensity.md) object is used to perform
+a criticality search based on the total density of material 1.
+
+!listing /tests/criticality/material_density/openmc.i
+  block=Problem
+
+When running this case, Cardinal will print out a table showing a summary of the results of
+the criticality search.
+
+```
+---------------------------------------------------------------------------
+| Iteration | material 1 density [kg/m3] |   k (mean)   |   k (std dev)   |
+---------------------------------------------------------------------------
+|         0 |               1.000000e+03 | 6.620000e-02 |    1.098139e-03 |
+|         1 |               3.000000e+04 | 1.621666e+00 |    2.077345e-02 |
+|         2 |               1.840971e+04 | 1.102440e+00 |    1.108761e-02 |
+|         3 |               1.634907e+04 | 9.942194e-01 |    1.174444e-02 |
+|         4 |               1.645914e+04 | 9.961657e-01 |    1.040603e-02 |
+|         5 |               1.666816e+04 | 1.008298e+00 |    1.162806e-02 |
+|         6 |               1.652520e+04 | 1.013949e+00 |    1.304124e-02 |
+|         7 |               1.647338e+04 | 9.847013e-01 |    1.192703e-02 |
+|         8 |               1.650048e+04 | 9.890565e-01 |    1.018419e-02 |
+|         9 |               1.651135e+04 | 1.010180e+00 |    1.071604e-02 |
+|        10 |               1.650611e+04 | 1.001364e+00 |    1.163008e-02 |
+|        11 |               1.650539e+04 | 9.971522e-01 |    1.117813e-02 |
+|        12 |               1.650588e+04 | 1.020902e+00 |    1.023352e-02 |
+|        13 |               1.650545e+04 | 9.994847e-01 |    1.192011e-02 |
+|        14 |               1.650546e+04 | 1.002346e+00 |    1.093321e-02 |
+|        15 |               1.650546e+04 | 9.943650e-01 |    7.631514e-03 |
+---------------------------------------------------------------------------
+```
+
+!syntax list /Problem/CriticalitySearch actions=false subsystems=false heading=Available CriticalitySearch Objects
+
+!syntax parameters /Problem/CriticalitySearch/AddCriticalitySearchAction

doc/content/source/criticalitysearch/BoratedWater.md

@@ -0,0 +1,33 @@
+# BoratedWater
+
+## Description
+
+`BoratedWater` is a [CriticalitySearch](AddCriticalitySearchAction.md) that
+performs a criticality search based on the natural boron weight ppm in water.
+This object will clear the nuclides in the provided material, and overwrite
+with natural water and natural boron, to the specific boron weight ppm.
+The density of the material remains unchanged (but it may still be being set by a
+coupled thermal-fluid application).
+
+!alert note
+This object does not search in your cross section library to see what nuclides
+are present (some libraries do not include O18, for instance). OpenMC will
+throw an error if your library is missing a nuclide that `BoratedWater` is
+trying to add. To circumvent this, please explicitly note which of the natural
+nuclides from hydrogen (H1, H2), boron (B10, B11), and oxygen (O16, O17, O18)
+are missing from your material with `absent_nuclides`. Currently, only O18 is supported.
+
+!alert warning
+This object does not currently add S(a,b) tables. To correctly account for thermal scattering in water, the starting material definition in OpenMC must include the correct thermal scattering library.
+
+## Example Input File Syntax
+
+The following input will perform a criticality search for each OpenMC solve
+by searching via the boron ppm of material 2.
+
+!listing test/tests/criticality/borated_water/openmc.i
+  block=Problem
+
+!syntax parameters /Problem/CriticalitySearch/BoratedWater
+
+!syntax inputs /Problem/CriticalitySearch/BoratedWater

doc/content/source/criticalitysearch/OpenMCMaterialDensity.md

@@ -0,0 +1,18 @@
+# OpenMCMaterialDensity
+
+## Description
+
+`OpenMCMaterialDensity` is a [CriticalitySearch](AddCriticalitySearchAction.md) that
+performs a criticality search based on the total density of a provided material.
+
+## Example Input File Syntax
+
+The following input will perform a criticality search for each OpenMC solve
+by searching via the density of material ID 1.
+
+!listing test/tests/criticality/material_density/openmc.i
+  block=Problem
+
+!syntax parameters /Problem/CriticalitySearch/OpenMCMaterialDensity
+
+!syntax inputs /Problem/CriticalitySearch/OpenMCMaterialDensity

doc/content/source/postprocessors/NekPressureSurfaceForce.md

@@ -9,8 +9,7 @@ stress tensor over a boundary, multiplied by negative 1 in order to compute
 the force that the fluid exerts ON the boundary,
 
 \begin{equation}
-r_i=&\ -\int_{\Gamma}-Pn_i\ d\Gamma\\
-=&\ \int_{\Gamma}Pn_i\ d\Gamma\\
+r_i=-\int_{\Gamma}-Pn_i\ d\Gamma\rightarrow\int_{\Gamma}Pn_i\ d\Gamma
 \end{equation}
 
 where $\Gamma$ is the boundary of the NekRS mesh and

doc/content/source/postprocessors/NekViscousSurfaceForce.md

@@ -9,7 +9,7 @@ stress tensor over a boundary, multiplied by negative 1 in order to compute
 the force that the fluid exerts ON the boundary,
 
 \begin{equation}
-r_i=&\ -\int_{\Gamma}2\mu e_{ij}n_j\ d\Gamma\\
+r_i=-\int_{\Gamma}2\mu e_{ij}n_j\ d\Gamma
 \end{equation}
 
 where $\Gamma$ is the boundary of the NekRS mesh and

include/actions/AddCriticalitySearchAction.h

@@ -0,0 +1,31 @@
+/********************************************************************/
+/*                  SOFTWARE COPYRIGHT NOTIFICATION                 */
+/*                             Cardinal                             */
+/*                                                                  */
+/*                  (c) 2021 UChicago Argonne, LLC                  */
+/*                        ALL RIGHTS RESERVED                       */
+/*                                                                  */
+/*                 Prepared by UChicago Argonne, LLC                */
+/*               Under Contract No. DE-AC02-06CH11357               */
+/*                With the U. S. Department of Energy               */
+/*                                                                  */
+/*             Prepared by Battelle Energy Alliance, LLC            */
+/*               Under Contract No. DE-AC07-05ID14517               */
+/*                With the U. S. Department of Energy               */
+/*                                                                  */
+/*                 See LICENSE for full restrictions                */
+/********************************************************************/
+
+#pragma once
+
+#include "MooseObjectAction.h"
+
+class AddCriticalitySearchAction : public MooseObjectAction
+{
+public:
+  static InputParameters validParams();
+
+  AddCriticalitySearchAction(const InputParameters & parameters);
+
+  virtual void act() override;
+};

include/base/OpenMCBase.h

@@ -44,6 +44,20 @@ class OpenMCBase
    */
   Real stdev(const double & mean, const double & sum_sq, unsigned int realizations) const;
 
+  /**
+   * A function which computes the mean value of \f$k_{eff}\f$.
+   * @param[in] estimator type of estimator
+   * @return the mean value of the k-eigenvalue
+   */
+  Real kMean(const eigenvalue::EigenvalueEnum estimator) const;
+
+  /**
+   * A function which computes the standard deviation of \f$k_{eff}\f$.
+   * @param[in] estimator type of estimator
+   * @return the standard deviation of the k-eigenvalue
+   */
+  Real kStandardDeviation(const eigenvalue::EigenvalueEnum estimator) const;
+
   /// The OpenMCCellAverageProblem required by all objects which inherit from OpenMCBase.
   OpenMCCellAverageProblem * _openmc_problem;
 };

include/base/OpenMCProblemBase.h

@@ -45,6 +45,7 @@
 class OpenMCNuclideDensities;
 class OpenMCDomainFilterEditor;
 class OpenMCTallyEditor;
+class CriticalitySearchBase;
 
 /**
  * Base class for all MOOSE wrappings of OpenMC
@@ -65,13 +66,6 @@ class OpenMCProblemBase : public CardinalProblem, public PostprocessorInterface
    */
   std::string subdomainName(const SubdomainID & id) const;
 
-  /**
-   * Print a full error message when catching errors from OpenMC
-   * @param[in] err OpenMC error code
-   * @param[in] descriptor descriptive message for error
-   */
-  void catchOpenMCError(const int & err, const std::string descriptor) const;
-
   /**
    * Whether the score is a reaction rate score
    * @return whether the tally from OpenMC has units of 1/src
@@ -527,4 +521,7 @@ class OpenMCProblemBase : public CardinalProblem, public PostprocessorInterface
 
   /// ID used by OpenMC to indicate that a material fill is VOID
   static constexpr int MATERIAL_VOID{-1};
+
+  /// Object to use for a criticality search
+  CriticalitySearchBase * _criticality_search = nullptr;
 };

include/base/UserErrorChecking.h

@@ -75,3 +75,10 @@ void checkRequiredParam(const InputParameters & p,
 void checkJointParams(const InputParameters & p,
                       const std::vector<std::string> & name,
                       const std::string & explanation);
+
+/**
+ * Print a full error message when catching errors from OpenMC
+ * @param[in] err OpenMC error code
+ * @param[in] descriptor descriptive message for error
+ */
+void catchOpenMCError(const int & err, const std::string descriptor);

include/criticality/BoratedWater.h

@@ -0,0 +1,64 @@
+/********************************************************************/
+/*                  SOFTWARE COPYRIGHT NOTIFICATION                 */
+/*                             Cardinal                             */
+/*                                                                  */
+/*                  (c) 2021 UChicago Argonne, LLC                  */
+/*                        ALL RIGHTS RESERVED                       */
+/*                                                                  */
+/*                 Prepared by UChicago Argonne, LLC                */
+/*               Under Contract No. DE-AC02-06CH11357               */
+/*                With the U. S. Department of Energy               */
+/*                                                                  */
+/*             Prepared by Battelle Energy Alliance, LLC            */
+/*               Under Contract No. DE-AC07-05ID14517               */
+/*                With the U. S. Department of Energy               */
+/*                                                                  */
+/*                 See LICENSE for full restrictions                */
+/********************************************************************/
+
+#pragma once
+
+#include "OpenMCMaterialSearch.h"
+
+/**
+ * Perform a criticality search based on the boron ppm in water
+ */
+class BoratedWater : public OpenMCMaterialSearch
+{
+public:
+  static InputParameters validParams();
+
+  BoratedWater(const InputParameters & parameters);
+
+  virtual void updateOpenMCModel(const Real & input) override;
+
+protected:
+  virtual std::string quantity() const override
+  {
+    return "material " + std::to_string(_material_id) + " boron";
+  }
+
+  virtual std::string units() const override { return "[ppm]"; }
+
+  /// Natural isotopes of hydrogen with their abundances
+  std::vector<std::pair<std::string, Real>> _hydrogen_natural;
+
+  /// Natural isotopes of boron with their abundances
+  std::vector<std::pair<std::string, Real>> _boron_natural;
+
+  /// Natural isotopes of oxygen with their abundances
+  std::vector<std::pair<std::string, Real>> _oxygen_natural;
+
+  /// Molar mass of water
+  Real _M_H2O;
+
+  /// Molar mass of boron
+  Real _M_B;
+
+private:
+  /** Adjust the natural abundances used for the criticality search if nuclides
+   *  are missing from the cross section library.
+   *  @param[in] allowable possible natural isotopes that will exist in the borated water
+   */
+  void applyAbsentNuclides(const std::vector<std::string> & allowable);
+};