From 37eb567451fb81e4f8313da41a1bd8a9ba4323b8 Mon Sep 17 00:00:00 2001 From: Martin Diehl Date: Fri, 13 May 2022 11:10:02 +0200 Subject: [PATCH 1/4] dataset for Platinum --- examples/config/phase/Pt.yaml | 5 ++++ .../phase/mechanical/elastic/Hooke_Pt.yaml | 26 +++++++++++++++++++ .../plastic/phenopowerlaw_Pt-5%Cu.yaml | 16 ++++++++++++ 3 files changed, 47 insertions(+) create mode 100644 examples/config/phase/Pt.yaml create mode 100644 examples/config/phase/mechanical/elastic/Hooke_Pt.yaml create mode 100644 examples/config/phase/mechanical/plastic/phenopowerlaw_Pt-5%Cu.yaml diff --git a/examples/config/phase/Pt.yaml b/examples/config/phase/Pt.yaml new file mode 100644 index 000000000..90d8ba2f2 --- /dev/null +++ b/examples/config/phase/Pt.yaml @@ -0,0 +1,5 @@ +references: + - https://en.wikipedia.org/wiki/Platinum + +lattice: cF +rho: 21450.0 diff --git a/examples/config/phase/mechanical/elastic/Hooke_Pt.yaml b/examples/config/phase/mechanical/elastic/Hooke_Pt.yaml new file mode 100644 index 000000000..88513b8ac --- /dev/null +++ b/examples/config/phase/mechanical/elastic/Hooke_Pt.yaml @@ -0,0 +1,26 @@ +type: Hooke + +references: + - S.M. Collard and R.B. McLellan, + Acta Metallurgica et Materialia 40:699-702, 1992, + https://doi.org/10.1016/0956-7151(92)90011-3 + +C_11: 373.42e+9 +C_11,T: -8.929e+7 +C_11,T^2: -1.298e+5 +C_11,T^3: 1.2807e+2 +C_11,T^4: -4.6114e-2 + +C_12: 241.74e+9 +C_12,T: 5.705e+7 +C_12,T^2: 0.4511e+5 +C_12,T^3: -0.4860e+2 +C_12,T^4: 1.446e-2 + +C_44: 77.65e+9 +C_44,T: -1.342e+7 +C_44,T^2: -0.1493e+5 +C_44,T^3: 0.1260e+2 +C_44,T^4: -0.6470e-2 + +T_ref: 0 diff --git a/examples/config/phase/mechanical/plastic/phenopowerlaw_Pt-5%Cu.yaml b/examples/config/phase/mechanical/plastic/phenopowerlaw_Pt-5%Cu.yaml new file mode 100644 index 000000000..41b933935 --- /dev/null +++ b/examples/config/phase/mechanical/plastic/phenopowerlaw_Pt-5%Cu.yaml @@ -0,0 +1,16 @@ +type: phenopowerlaw +references: +- K.M. Jackson and C. Lang, + Platinum Metals Review 50:15-19, 2006, + https://doi.org/10.1595/147106705X93359, + fitted from Fig. 5 (Pt-5% Cu recrystallised) + +N_sl: [12] + +n_sl: 1.6 +a_sl: 0.8 +h_0_sl-sl: 300.0e+6 +xi_0_sl: [150.0e+6] +xi_inf_sl: [500.0e+6] +h_sl-sl: [1, 1, 1.4, 1.4, 1.4, 1.4, 1.4] +dot_gamma_0_sl: 0.0001 From cda6e0af358f851088af122c747e2e269502733b Mon Sep 17 00:00:00 2001 From: Martin Diehl Date: Fri, 13 May 2022 11:44:02 +0200 Subject: [PATCH 2/4] some difference to pure Ni --- .../phase/mechanical/elastic/Hooke_IN625.yaml | 21 +++++++++++++++++++ 1 file changed, 21 insertions(+) create mode 100644 examples/config/phase/mechanical/elastic/Hooke_IN625.yaml diff --git a/examples/config/phase/mechanical/elastic/Hooke_IN625.yaml b/examples/config/phase/mechanical/elastic/Hooke_IN625.yaml new file mode 100644 index 000000000..5230994c3 --- /dev/null +++ b/examples/config/phase/mechanical/elastic/Hooke_IN625.yaml @@ -0,0 +1,21 @@ +type: Hooke + +references: + - Wang et al., + Materials Science and Engineering:A 674:406-412, 2016, + https://doi.org/10.1016/j.msea.2016.08.010, + fitted to Tab. 2 (last 3 rows) + +C_11: 243.3e+9 +C_11,T: -6.380e+5 +C_11,T^2: -8.362e+4 + +C_12: 156.7e+9 +C_12,T: 2.091e+7 +C_12,T^2: -4.675e+4 + +C_44: 99.3e+9 +C_44,T: -3.800e+7 +C_44,T^2: 1.587e+4 + +T_ref: 293.15 From b3992e0ff01c26236bab9a32071fb47e03fe29e1 Mon Sep 17 00:00:00 2001 From: Martin Diehl Date: Mon, 16 May 2022 23:16:23 +0200 Subject: [PATCH 3/4] test new example files --- PRIVATE | 2 +- .../mechanical/plastic/phenopowerlaw_Pt-5%Cu.yaml | 12 ++++++++---- 2 files changed, 9 insertions(+), 5 deletions(-) diff --git a/PRIVATE b/PRIVATE index ede67b648..1766c855e 160000 --- a/PRIVATE +++ b/PRIVATE @@ -1 +1 @@ -Subproject commit ede67b6488f0a0a116fe5aa8b36980d11e0f29e7 +Subproject commit 1766c855e54668d6225c9b22db536be7052605bc diff --git a/examples/config/phase/mechanical/plastic/phenopowerlaw_Pt-5%Cu.yaml b/examples/config/phase/mechanical/plastic/phenopowerlaw_Pt-5%Cu.yaml index 41b933935..864237825 100644 --- a/examples/config/phase/mechanical/plastic/phenopowerlaw_Pt-5%Cu.yaml +++ b/examples/config/phase/mechanical/plastic/phenopowerlaw_Pt-5%Cu.yaml @@ -1,9 +1,13 @@ type: phenopowerlaw + references: -- K.M. Jackson and C. Lang, - Platinum Metals Review 50:15-19, 2006, - https://doi.org/10.1595/147106705X93359, - fitted from Fig. 5 (Pt-5% Cu recrystallised) + - K.M. Jackson and C. Lang, + Platinum Metals Review 50:15-19, 2006, + https://doi.org/10.1595/147106705X93359, + fitted from Fig. 5 (Pt-5% Cu recrystallised) + - U.F. Kocks, + Metallurgical and Materials Transactions B 1:1121–1143, 1970, + https://doi.org/10.1007/BF02900224 N_sl: [12] From 0f1d0cbd61d3650038d0a825625acbc5ae5a4c59 Mon Sep 17 00:00:00 2001 From: Martin Diehl Date: Tue, 17 May 2022 08:53:32 +0200 Subject: [PATCH 4/4] copy and paste error --- examples/config/phase/mechanical/elastic/Hooke_IN625.yaml | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/examples/config/phase/mechanical/elastic/Hooke_IN625.yaml b/examples/config/phase/mechanical/elastic/Hooke_IN625.yaml index 5230994c3..1411de6f4 100644 --- a/examples/config/phase/mechanical/elastic/Hooke_IN625.yaml +++ b/examples/config/phase/mechanical/elastic/Hooke_IN625.yaml @@ -14,7 +14,7 @@ C_12: 156.7e+9 C_12,T: 2.091e+7 C_12,T^2: -4.675e+4 -C_44: 99.3e+9 +C_44: 117.8e+9 C_44,T: -3.800e+7 C_44,T^2: 1.587e+4