# US 10,872,682 B2 · Method for designing alloys > Agents: this data is available as JSON from the patentgrep API and MCP server — see https://patentgrep.com/llms.txt - Number: US 10,872,682 B2 - Document ID: US10872682B2 - Status: Granted - Kind: B2 - Application number: 15/563,100 - Filed: 2016-03-23 - Published: 2018-03-22 - Granted: 2020-12-22 - Earliest claimed: 2015-04-01 - Assignees: Oxford University Innovation Limited - Applicants: Oxford University Innovation Limited - Inventors: Roger Reed; Zailing Zhu; David Crudden - Web page: https://patentgrep.com/patent/US10872682B2 ## CPC - G16C 20/30: Prediction of properties of chemical compounds, compositions or mixtures - C22C 19/007: {with a light metal (alkali metal Li, Na, K, Rb, Cs; earth alkali metal Be, Mg, Ca, Sr, Ba, Al Ga, Ge, Ti) or B, Si, Zr, Hf, Sc, Y, lanthanides, actinides, as the next major constituent} - C22C 19/056: {with the maximum Cr content being at least 10% but less than 20%} - C22C 19/057: {with the maximum Cr content being less 10%} - G16C 20/50: Molecular design, e.g. of drugs - G16C: COMPUTATIONAL CHEMISTRY; CHEMOINFORMATICS; COMPUTATIONAL MATERIALS SCIENCE - C22C: ALLOYS (treatment of alloys C21D, C22F) ## Abstract A computer assisted method of designing a designed alloy composition comprising a plurality of elements, the method comprising the steps of: populating a multi-dimensional alloy space with a plurality of candidate alloy compositions, the plurality of candidate alloy compositions including for each of the plurality of elements at least three candidate alloy compositions with different amounts of the respective element to each other; performing at least one test on each individual one of the plurality of candidate alloy compositions until each of the individual ones of the plurality of candidate alloy compositions fails a test or has passed all tests; outputting the designed alloy composition based on one or more of the individual ones of the plurality of candidate alloy compositions which have passed all tests, wherein the at least one test includes at least: a phase equilibrium test in which predicted phase equilibrium is determined as a function of elemental composition of the individual one of the plurality of candidate alloy compositions; and at least one merit index test in which a predicted property of the individual one of the plurality of candidate alloy compositions is predicted as a function of the elemental composition of the individual one of the plurality of candidate alloy compositions and failing the individual one of the plurality candidate alloy compositions if the predicted property does not meet a desired predicted property. ## Claims ### Claim 1 A method of manufacturing an alloy, the method comprising: designing a designed alloy composition comprising a plurality of elements, the designing comprising the steps of: populating a multi-dimensional alloy space with a plurality of candidate alloy compositions, the plurality of candidate alloy compositions including for each of the plurality of elements at least three candidate alloy compositions with different amounts of the respective element to each other; performing tests on each individual one of the plurality of candidate alloy compositions until each of the individual ones of the plurality of candidate alloy compositions fails a test or has passed all tests; outputting the designed alloy composition based on one or more of the individual ones of the plurality of candidate alloy compositions which have passed all tests, wherein the tests on each individual one of the plurality of candidate alloy include at least: a phase equilibrium test in which predicted phase equilibrium is determined as a function of elemental composition of the individual one of the plurality of candidate alloy compositions; and at least one merit index test in which a predicted property of the individual one of the plurality of candidate alloy compositions is predicted as a function of the elemental composition of the individual one of the plurality of candidate alloy compositions and failing the individual one of the plurality candidate alloy compositions if the predicted property does not meet a desired predicted property, wherein in the performing step at least one merit index test is performed after the phase equilibrium test and is a function of an aspect of the predicted phase equilibrium for the respective individual one of the plurality of candidate alloy compositions, and wherein the phase equilibrium test further comprises failing the individual one of the plurality of candidate alloy compositions if the predicted phase equilibrium does not meet a desired predicted phase equilibrium; and manufacturing the alloy with a composition within the designed alloy composition. ### Claim 2 (depends on 1) The computer assisted method of claim 1, wherein in the performing step the plurality of tests are performed one after the other in an order starting with the least computationally intensive test. ### Claim 3 (depends on 1) The method of claim 1, further comprising receiving an input indicative of the desired predicted phase equilibrium. ### Claim 4 (depends on 1) The method of claim 1, further comprising receiving an input indicative of at least one temperature and/or pressure at which the predicted phase equilibrium is determined and/or an input indicative or whether stable equilibrium of meta-stable equilibrium phase fractions are to be calculated. ### Claim 5 (depends on 1) The method of claim 1, further comprising receiving an input indicative of a desired predicted property for each of the at least one merit index tests. ### Claim 6 (depends on 1) The method of claim 1, further comprising receiving an input relating to which elements make up the plurality of elements and/or maximum and/or minimum content of at least one of the elements of the plurality of elements, thereby to define the limits of the multi-dimensional alloy space. ### Claim 7 (depends on 1) The method of claim 1, further comprising receiving, for at least one element of the plurality of elements, an input relating to a magnitude of a difference in content of that element between adjacent candidate alloy compositions. ### Claim 8 (depends on 1) The method of claim 1, further comprising the step of carrying out the populating step on a new multi-dimensional alloy space to define a new plurality of candidate alloy compositions and carrying out the performing and outputting steps on the new plurality of candidate alloy compositions. ### Claim 9 (depends on 8) The method of claim 8, wherein the new multi-dimensional alloy space is a subset of the multi-dimensional alloy space and is based on the designed alloy composition. ### Claim 10 (depends on 8) The method of claim 8, wherein the carrying out further includes receiving an input relating to maximum and/or minimum content of at least one of the elements of the plurality of elements thereby to define the limits of the new multi-dimensional alloy space as a subset of the multi-dimensional alloy. ### Claim 11 (depends on 8) The method of claim 8, further comprising: receiving, for at least one element of the plurality of elements, an input indicative of a modified magnitude of a difference in content of that element between adjacent candidate alloy compositions of the new multi-dimensional alloy space. ### Claim 12 (depends on 8) The method of claim 8, further comprising: receiving an input indicative of a modification to the desired predicted property of at least one of the at least one merit index tests and/or receiving an input indicative of a modification to the desired phase equilibrium. ### Claim 13 (depends on 8) The method of claim 8, further comprising repeating the populating, performing, outputting and carrying out steps. ### Claim 14 (depends on 1) The method of claim 1, wherein the at least one merit index test predicts: a cost of candidate alloy compositions; a density of candidate alloy compositions; an anti-phase boundary energy of candidate alloy compositions; a lattice misfit of candidate alloy compositions; creep properties of candidate alloy compositions; or a heat treatment window of candidate alloy compositions, or combinations thereof. ### Claim 15 (depends on 1) The method of claim 1, wherein the phase equilibrium test predicts a total fraction of a given phase of candidate alloy compositions.