System and method for designing simulant composition

Patent metadata

Field	Value
Publication number	US-11114183-B2
Application number	US-202117208759-A
Country	US
Kind code	B2
Filing date	Mar 22, 2021
Priority date	Aug 25, 2016
Publication date	Sep 7, 2021
Grant date	Sep 7, 2021

Abstract

In one embodiment, a method for identifying and forming a simulant includes identifying a composition, identifying a plurality of ingredients, the simulant being a combination of the ingredients, identifying for evaluation one or more metrics of the simulant, determining proportions of each of the ingredients by optimizing a quadratic function based on the one or more metrics of the simulant, rendering, via a GUI, a 3D plot that depicts the metrics and a target point specified by the target values of the composition, when the target point is contained within a convex set defined by the identified ingredients, outputting the determined proportions of each of the identified ingredients and, otherwise, receiving user input to adjust the convex set by user selecting and moving the data points of the 3D plot to modify the metrics of the simulant to produce a new 3D plot, and identifying alternative ingredients and/or alternative proportions.

First claim

The invention claimed is:

1. A method for identifying a simulant, the method comprising:
receiving a selection of a subject composition from a listing of subject compositions each being associated with one or more metrics having target values;
receiving a selection of at least three ingredients from a listing of simulant ingredients for the simulant, each simulant ingredient of the listing of simulant ingredients being associated with one or more metrics and having an ingredient value;
identifying for evaluation one or more metrics based on the selected subject composition, the one or more metrics including at least one of physical or chemical properties;
determining proportions of each of the at least three ingredients by optimizing a quadratic function based on the one or more metrics of the simulant;
rendering, via a graphical user interface (GUI), a three-dimensional (3D) plot that depicts the one or more metrics and a target point specified by the target values of the selected subject composition, the 3D plot having data points that are selectable and movable via the GUI to produce a new 3D plot representing modified metrics of the simulant;
when the target point specified by the target values of the selected subject composition is contained within a convex set defined by the at least three ingredients, outputting the determined proportions of each of the at least three ingredients; and
when the target point specified by the target values of the selected subject composition is not contained within a convex set defined by the at least three ingredients, receiving user input to adjust the convex set by user selecting and moving the data points of the 3D plot to modify the metrics of the simulant to produce the new 3D plot, identifying alternative ingredients and/or alternative proportions for one or more of the at least three ingredients that more closely conform to the target values of the subject composition as represented by the user adjusted convex set, the alternative ingredients and/or alternative proportions representing the at least three ingredients that more closely conform to the target values of the subject composition, and determining proportions of each of the at least three ingredients that more closely conform to the target values of the subject composition by optimizing the quadratic function based on the one or more metrics of the at least three ingredients of the simulant that more closely conform to the target values of the subject composition.

2. The method of claim 1 , wherein the one or more metrics include at least one of physical or chemical properties selected from the group consisting of density, electron density, effective atomic number (Z eff ), mass attenuation coefficient (MAC), chemical compound ratio, Nitrogen-Oxygen to Carbon-Hydrogen ratio, dielectric constant, morphological property, and millimeter wave reflectivity.

3. The method of claim 2 , wherein the 3D plot has three axes corresponding to three metrics selected from the group consisting of density, electron density, effective atomic number (Z eff ), mass attenuation coefficient (MAC), chemical compound ratio, Nitrogen-Oxygen to Carbon-Hydrogen ratio, dielectric constant, morphological property, and millimeter wave reflectivity.

4. The method of claim 1 , wherein the subject composition is an explosive, an explosive precursor, or a flammable material, and wherein the one or more metrics are density, effective atomic number, mass attenuation coefficient, electron density, chemical compound ratio, dielectric constant, or millimeter wave reflectivity.

5. The method of claim 1 , further comprising:
determining differences between the target values and the ingredient values of the selected at least three ingredients;
determining whether the differences are greater than a predetermined threshold; and
identifying one or more alternative ingredients when the differences are greater than the predetermined threshold.

6. The method of claim 5 , further comprising determining whether metrics associated with the alternative ingredients fall within the predetermined threshold.

7. The method of claim 6 , wherein the alternative ingredients are automatically identified and proposed based on similarity of metrics of the alternative ingredients to metrics values associated with the selected one or more ingredients identified for evaluation.

8. The method of claim 6 , wherein the alternative ingredients are automatically identified and proposed based on similarity of metrics of the alternative ingredients to the target values.

9. A system for identifying a simulant, the system comprising:
one or more databases containing subject compositions and ingredients information,
wherein each subject composition is associated with one or more metrics having target values, and each ingredient is associated with one or more metrics and having an ingredient value; and

processing circuitry configured to:
identify for evaluation one or more metrics based on a subject composition selected from a listing of subject compositions from the one or more databases as a selected subject composition, the one or more metrics including at least one of physical or chemical properties;
determine proportions of each of at least three ingredients selected from a listing of ingredients for the simulant from the one or more databases, by optimizing a quadratic function based on one or more metrics of the simulant;
render a three-dimensional (3D) plot that depicts the one or more metrics and a target point specified by the target values of the selected subject composition, the 3D plot having data points that are selectable and movable to produce a new 3D plot representing modified metrics of the simulant;
when the target point specified by the target values of the selected subject composition is contained within a convex set defined by the at least three ingredients, then output the determined proportions of each of the at least three ingredients; and
when the target point specified by the target values of the selected subject composition is not contained within a convex set defined by the at least three ingredients, identify alternative ingredients and/or alternative proportions for one or more of the at least three ingredients that more closely conform to the target values of the subject composition as represented by an adjusted convex set, which is adjusted by selecting and moving the data points of the 3D plot to modify the metrics of the at least three ingredients of the simulant to produce the new 3D plot, the alternative ingredients and/or alternative proportions representing the at least three ingredients that are modified to more closely conform to the target values of the subject composition, and determine proportions of each of the at least three ingredients that are modified to more closely conform to the target values of the subject composition by optimizing the quadratic function based on one or more metrics of the at least three ingredients of the simulant that are modified to more closely conform to the target values of the subject composition.

10. The system of claim 9 , wherein the one or more metrics include at least one of physical or chemical properties including at least one of density, electron density, effective atomic number (Zeff), mass attenuation coefficient (MAC), chemical compound ratio, Nitrogen-Oxygen to Carbon-Hydrogen ratio, dielectric constant, morphological property, and millimeter wave reflectivity.

11. The system of claim 10 , wherein the 3D plot has three axes corresponding to three metrics selected from the group consisting of density, electron density, effective atomic number (Z eff ), mass attenuation coeff

Assignees

• The Government Of The Us Secretary Of Homeland Security

Inventors

• Mcnamara Joseph
• Demasi Alexander
• Brogden Michael
• Krauss Ronald

Classifications

• G16C20/50 Primary

  Molecular design, e.g. of drugs · CPC title

• G16C20/80

  Data visualisation · CPC title

• G16C20/30 Primary

  Prediction of properties of chemical compounds, compositions or mixtures · CPC title

• G06F30/00

  Computer-aided design [CAD] · CPC title