Systems and methodologies for desigining simulant compounds

Patent metadata

Field	Value
Publication number	US-10998087-B2
Application number	US-201615246729-A
Country	US
Kind code	B2
Filing date	Aug 25, 2016
Priority date	Aug 25, 2016
Publication date	May 4, 2021
Grant date	May 4, 2021

Abstract

Systems and methods are provided for forming a simulant. In accordance with one embodiment, a method is provided for identifying and forming a simulant. The method identifies, using processing circuitry, a compound. The method further identifies, using the processing circuitry, a plurality of ingredients, wherein the simulant is a combination of the plurality of ingredients. The method further identifies for evaluation, using the processing circuitry, one or more metrics of the simulant. The method further determines, using the processing circuitry, proportions of each of the plurality of ingredients by optimizing a quadratic function based on the one or more metrics of the simulant. The method further outputs the proportions of each of the plurality of ingredients, and forms a mixture of the plurality of ingredients based on the proportions of each of the plurality of ingredients.

First claim

The invention claimed is:

1. A method for identifying an explosive simulant, the method comprising:
(a) displaying a listing of explosive threat compounds retrieved from a threat database based upon a user selection of a graphical user interface (GUI) control corresponding to the explosive threat compounds, wherein each explosive threat compound in the threat database is associated with one or more metrics having target values;
(b) receiving a selection of an explosive threat compound from the displayed listing of explosive threat compounds using a selection control of the GUI;
(c) displaying a listing of simulant ingredients retrieved from an ingredient database based upon the user selection of a GUI control corresponding to the simulant ingredients, wherein each simulant ingredient in the ingredient database is associated with one or more metrics having ingredient values;
(d) receiving a selection of at least three ingredients from the displayed listing of simulant ingredients;
(e) identifying for evaluation, using processing circuitry, one or more metrics based on the selected explosive threat compound, the one or more metrics being physical 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, and millimeter wave reflectivity;
(f) determining, using the processing circuitry, proportions of each of the at least three ingredients by optimizing a quadratic function based on the one or more metrics of the simulant;
(g) rendering, via the 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 explosive threat compound, wherein the 3D plot has data points that are selectable and movable via the GUI to produce a new 3D plot representing modified metrics of the simulant,
(h) when the target point specified by the target values of the selected explosive threat compound lies within a convex set defined by the quadratic function, outputting the determined proportions of each of the at least three ingredients, and
(i) when the target point specified by the target values of the selected explosive threat compound does not lie within a convex set defined by the quadratic function, 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, and 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 explosive threat compound as represented by the user adjusted convex set, such that the alternative ingredients and/or alternative proportions serve as the at least three ingredients, and repeating step (f).

2. The method of claim 1 , 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, and millimeter wave reflectivity.

3. The method of claim 1 , wherein the explosive threat compound 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.

4. 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.

5. The method of claim 4 , further comprising determining whether metrics associated with the alternative ingredients fall within the predetermined threshold.

6. The method of claim 5 , 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.

7. The method of claim 5 , wherein the alternative ingredients are automatically identified and proposed based on similarity of metrics of the alternative ingredients to the target values.

8. The method of claim 1 , further comprising (j) forming the simulant having at least one ingredient of the at least three ingredients based on the proportions of each of the at least three ingredients.

9. The method of claim 1 , wherein the proportion of at least one of the at least three ingredients is optimized by the quadratic function to be zero.

10. The method of claim 1 , wherein at least one of the threat database and the ingredient database are cloud based.

11. The method of claim 1 , wherein optimizing the quadratic function comprises minimizing the quadratic function based on an interior point method.

12. The method of claim 1 , wherein the 3D plot has three axes corresponding to the mass attenuation coefficient (MAC), effective atomic number (Z eff ), and density.

13. A system for identifying an explosive simulant, the system comprising:
one or more databases containing compounds and ingredients information, wherein each compound is associated with one or more metrics having target values, and each ingredient is associated with one or more metrics having ingredient values; and
processing circuitry configured to:
(a) display a listing of explosive threat compounds retrieved from the one or more databases based upon a user selection of a graphical user interface (GUI) control corresponding to the explosive threat compounds;
(b) receive a selection of an explosive threat compound from the displayed listing of explosive threat compounds using a selection control of the GUI;
(c) display a listing of ingredients retrieved from the one or more databases based upon the user selection of a GUI control corresponding to the ingredients;
(d) receive a selection of at least three ingredients from the displayed listing of ingredients;
(e) identify for evaluation one or more metrics based on the selected explosive threat compound, the one or more metrics being physical 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, and millimeter wave reflectivity;
(f) determine proportions of each of the at least three ingredients by optimizing a quadratic function based on one or more metrics of the simulant;
(g) render, via the 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 explosive threat compound, wherein the 3D plot has data points that are selectable and movable via the GUI to produce a new 3D plot representing modified metrics of the simulant,
(h) when the target point specified by the target values of the selected explosive threat compound lies within a convex set defined by the quadratic function, then output the determined proportions of each of the at least three ingredients, and
(i) when the target point specified by the target values of the selected explosive threat compound does not lie within a convex set defined by the quadratic function, receive user input to adjust the conv

Assignees

• The Government Of The Us Secretary Of Homeland Security
• The Government of the United States of Amercia as represented by the 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

• G16C20/30 Primary

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

• G06F30/00

  Computer-aided design [CAD] · CPC title

• G16C20/80

  Data visualisation · CPC title