| 1. |
- Breznau, Nate, et al.
(författare)
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Observing many researchers using the same data and hypothesis reveals a hidden universe of uncertainty
- 2022
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Ingår i: Proceedings of the National Academy of Sciences of the United States of America. - : National Academy of Sciences. - 0027-8424 .- 1091-6490. ; 119:44
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Tidskriftsartikel (refereegranskat)abstract
- This study explores how researchers analytical choices affect the reliability of scientific findings. Most discussions of reliability problems in science focus on systematic biases. We broaden the lens to emphasize the idiosyncrasy of conscious and unconscious decisions that researchers make during data analysis. We coordinated 161 researchers in 73 research teams and observed their research decisions as they used the same data to independently test the same prominent social science hypothesis: that greater immigration reduces support for social policies among the public. In this typical case of social science research, research teams reported both widely diverging numerical findings and substantive conclusions despite identical start conditions. Researchers expertise, prior beliefs, and expectations barely predict the wide variation in research outcomes. More than 95% of the total variance in numerical results remains unexplained even after qualitative coding of all identifiable decisions in each teams workflow. This reveals a universe of uncertainty that remains hidden when considering a single study in isolation. The idiosyncratic nature of how researchers results and conclusions varied is a previously underappreciated explanation for why many scientific hypotheses remain contested. These results call for greater epistemic humility and clarity in reporting scientific findings.
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| 2. |
- Achenbach, Jan-Ole, et al.
(författare)
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Low temperature oxidation behavior of Mo2BC coatings
- 2020
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Ingår i: Journal of Vacuum Science & Technology. A. Vacuum, Surfaces, and Films. - : A V S AMER INST PHYSICS. - 0734-2101 .- 1520-8559. ; 38:2
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Tidskriftsartikel (refereegranskat)abstract
- Mo2BC exhibits a unique combination of high stiffness and moderate ductility, enabling the application as a protective and wear resistant coating. As the low temperature oxidation behavior of Mo2BC coatings is unexplored, direct current magnetron sputtered Mo2BC coatings were oxidized at temperatures ranging from 500 to 100 degrees C for up to 28 days. Time-of-flight elastic recoil detection analysis reveals that the onset of oxidation takes place at approximately 300 degrees C as a significant increase in the O content was observed. Crystalline oxide scales containing orthorhombic MoO3 were identified after oxidation for 15 min at 500 degrees C and 10 days at 200 degrees C. Isothermal oxidation at 200 and 100 degrees C exhibits oxide scale thicknesses of 401 +/- 33 and 22 +/- 10 nm after 14 days. Oxidation for 28 days at 100 degrees C exhibits an oxide scale thickness of 13 +/- 3 nm, which is comparable to the aforementioned oxide scale thickness after oxidation for 14 days at 100 degrees C. Based on the combination of mechanical properties and the here reported low temperature oxidation behavior, Mo2BC coatings qualify for applications in solid wood machining and low temperature forming processes at temperatures close to 100 degrees C or below.
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| 3. |
- Aghda, Soheil Karimi, et al.
(författare)
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Ion kinetic energy- and ion flux-dependent mechanical properties and thermal stability of (Ti,Al)N thin films
- 2023
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Ingår i: Acta Materialia. - : Elsevier. - 1359-6454 .- 1873-2453. ; 250
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Tidskriftsartikel (refereegranskat)abstract
- Ion-irradiation-induced changes in structure, elastic properties, and thermal stability of metastable c-(Ti,Al)N thin films synthesized by high-power pulsed magnetron sputtering (HPPMS) and cathodic arc deposition (CAD) are systematically investigated by experiments and density functional theory (DFT) simulations. While films deposited by HPPMS show a random orientation at ion kinetic energies (Ek)>105 eV, an evolution towards (111) orientation is observed in CAD films for Ek>144 eV. The measured ion energy flux at the growing film surface is 3.3 times larger for CAD compared to HPPMS. Hence, it is inferred that formation of the strong (111) texture in CAD films is caused by the ion flux-and ion energy-induced strain energy minimization in defective c-(Ti,Al)N. The ion energy-dependent elastic modulus can be rationalized by considering the ion energy-and orientation -dependent formation of point defects from DFT predictions: The balancing effects of bombardment-induced Frenkel defects formation and the concurrent evolution of compressive intrinsic stress result in the apparent independence of the elastic modulus from Ek for HPPMS films without preferential orientation. However, an ion energy-dependent elastic modulus reduction of similar to 18% for the CAD films can be understood by considering the 34% higher Frenkel pair concentration formed at Ek=182 eV upon irradiation of the experimentally observed (111)-oriented (Ti,Al)N in comparison to the (200)-configuration at similar Ek. Moreover, the effect of Frenkel pair concentration on the thermal stability of metastable c-(Ti,Al)N is investigated by differential scanning calorimetry: Ion-irradiation-induced increase in Frenkel pairs concentration retards the wurtzite formation temperature by up to 206 degrees C.
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| 4. |
- Aghda, Soheil Karimi, et al.
(författare)
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Valence electron concentration- and N vacancy-induced elasticity in cubic early transition metal nitrides
- 2023
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Ingår i: Acta Materialia. - : Elsevier. - 1359-6454 .- 1873-2453. ; 255
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Tidskriftsartikel (refereegranskat)abstract
- Motivated by frequently reported deviations from stoichiometry in cubic transition metal nitride (TMNx) thin films, the effect of N-vacancy concentration on the elastic properties of cubic TiNx, ZrNx, VNx, NbNx, and MoNx (0.72 & LE; x & LE; 1.00) is systematically studied by density functional theory (DFT) calculations. The predictions are validated experimentally for VNx (0.77 & LE; x & LE; 0.97). The DFT results indicate that the elastic behavior of the TMNx depends on both the N-vacancy concentration and the valence electron concentration (VEC) of the transition metal: While TiNx and ZrNx exhibit vacancy-induced reductions in elastic modulus, VNx and NbNx show an increase. These trends can be rationalized by considering vacancy-induced changes in elastic anisotropy and bonding. While introduction of N-vacancies in TiNx results in a significant reduction of elastic modulus along all directions and a lower average bond strength of Ti-N, the vacancy-induced reduction in [001] direction of VNx is overcompensated by the higher stiffness along [011] and [111] directions, resulting in a higher average bond strength of V-N. To validate the predicted vacancy-induced changes in elasticity experimentally, close-to-singlecrystal VNx (0.77 & LE; x & LE; 0.97) are grown on MgO(001) substrates. As the N-content is reduced, the relaxed lattice parameter a0, as probed by X-ray diffraction, decreases from 4.128 & ANGS; to 4.096 & ANGS;. This reduction in lattice parameter is accompanied by an anomalous 11% increase in elastic modulus, as determined by nanoindentation. As the experimental data agree with the predictions, the elasticity enhancement in VNx upon N-vacancy formation can be understood based on the concomitant changes in elastic anisotropy and bonding.
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| 5. |
- Azina, Clio, et al.
(författare)
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Yttrium incorporation in Cr2AlC : On the metastable phase formation and decomposition of (Cr,Y)(2)AlC MAX phase thin films
- 2023
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Ingår i: Journal of The American Ceramic Society. - : John Wiley & Sons. - 0002-7820 .- 1551-2916. ; 106:4, s. 2652-2665
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Tidskriftsartikel (refereegranskat)abstract
- Herein we report on the synthesis of a metastable (Cr,Y)(2)AlC MAX phase solid solution by co-sputtering from a composite Cr-Al-C and elemental Y target, at room temperature, followed by annealing. However, direct high-temperature synthesis resulted in multiphase films, as evidenced by X-ray diffraction analyses, room-temperature depositions, followed by annealing to 760 degrees C led to the formation of phase pure (Cr,Y)(2)AlC by diffusion. Higher annealing temperatures caused a decomposition of the metastable phase into Cr2AlC, Y5Al3, and Cr-carbides. In contrast to pure Cr2AlC, the Y-containing phase crystallizes directly in the MAX phase structure instead of first forming a disordered solid solution. Furthermore, the crystallization temperature was shown to be Y-content dependent and was increased by similar to 200 degrees C for 5 at.% Y compared to Cr2AlC. Calculations predicting the metastable phase formation of (Cr,Y)(2)AlC and its decomposition are in excellent agreement with the experimental findings.
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| 6. |
- Evertz, Simon, et al.
(författare)
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Boron Concentration Induced Co-Ta-B Composite Formation Observed in the Transition from Metallic to Covalent Glasses
- 2020
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Ingår i: Condensed Matter. - : MDPI. - 2410-3896. ; 5:1
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Tidskriftsartikel (refereegranskat)abstract
- Due to their unique property combination of high strength and toughness, metallic glasses are promising materials for structural applications. As the behaviour of metallic glasses depends on the electronic structure which in turn is defined by chemical composition, we systematically investigate the influence of B concentration on glass transition, topology, magnetism, and bonding for B concentrations x = 2 to 92 at.% in the (Co6.8 +/- 3.9Ta)(100-x)B-x system. From an electronic structure and coordination point of view, the B concentration range is divided into three regions: Below 39 +/- 5 at.% B, the material is a metallic glass due to the dominance of metallic bonds. Above 69 +/- 6 at.%, the presence of an icosahedra-like B network is observed. As the B concentration is increased above 39 +/- 5 at.%, the B network evolves while the metallic coordination of the material decreases until the B concentration of 67 +/- 5 at.% is reached. Hence, a composite is formed. It is evident that, based on the B concentration, the ratio of metallic bonding to icosahedral bonding in the composite can be controlled. It is proposed that, by tuning the coordination in the composite region, glassy materials with defined plasticity and processability can be designed.
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| 7. |
- Hans, Marcus, et al.
(författare)
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Spinodal decomposition of reactively sputtered (V0.64Al0.36)(0.49)N-0.51 thin films
- 2020
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Ingår i: Surface & Coatings Technology. - : ELSEVIER SCIENCE SA. - 0257-8972 .- 1879-3347. ; 389
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Tidskriftsartikel (refereegranskat)abstract
- We investigate the decomposition mechanisms of metastable cubic (c-)(V0.64Al0.36)(0.49)N-0.51 thin films, grown by reactive high power pulsed magnetron sputtering, by combination of structural and compositional characterization at the nanometer scale with density functional theory (DFT) calculations. Based on thermodynamic considerations of partial derivative(2)Delta G/partial derivative x(2) < 0, spinodal decomposition is expected for c-V1-xAlxN with x >= 0.35. While no indications for spinodal decomposition are observable from laboratory and synchroton diffraction data after annealing in Ar atmosphere at 1300 degrees C, the formation of wurtzite (w-)AlN is evident after annealing at 900 degrees C by utilizing high energy synchrotron X-ray diffraction. However, the complementary nature of elemental V and Al maps, obtained by energy dispersive X-ray spectroscopy in scanning transmission electron microscopy mode, imply spinodal decomposition of c-(V0.64Al0.36)(0.49)N-0.51 into V- and Al-rich cubic nitride phases after annealing at 900 degrees C. These chemical modulations are quantified by atom probe tomography and maximum variations of x in V1-xAlxN are in the range of 0.36 to 0.50. The magnitude of the compositional modulations is enhanced after annealing at 1100 degrees C as x varies on average between 0.30 and 0.61, while the modulation wavelength remains unchanged at approximately 8 nm. Based on DFT data, the local x variation from 0.30 to 0.61 would cause lattice parameter variations from 4.111 to 4.099 angstrom. This difference corresponds to a shift of the (200) peak from 44.0 to 44.1 degrees. As the maximum decomposition-induced peak separation magnitude of 0.1 degrees is significantly smaller than the measured full width at half maximum of 0.4 degrees, spinodal decomposition cannot be unravelled by diffraction data. However, consistent with DFT predictions, spinodal decomposition in c-(V0.64Al0.36)(0.49)N-0.51 is revealed by chemical composition characterization at the nanometer scale.
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| 8. |
- Holzapfel, Damian M., et al.
(författare)
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Enhanced thermal stability of (Ti,Al)N coatings by oxygen incorporation
- 2021
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Ingår i: Acta Materialia. - : Elsevier. - 1359-6454 .- 1873-2453. ; 218
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Tidskriftsartikel (refereegranskat)abstract
- Thermal stability of protective coatings is one of the performance-defining properties for advanced cutting and forming applications as well as for energy conversion. To investigate the effect of oxygen incorporation on the high-temperature behavior of (Ti,Al)N, metastable cubic (Ti,Al)N and (Ti,Al)(OxN1-x) coatings are synthesized using reactive arc evaporation. X-ray diffraction of (Ti,Al)N and (Ti,Al)(OxN1-x) coatings reveals that spinodal decomposition is initiated at approximately 800 degrees C, while the subsequent formation of wurtzite solid solution is clearly delayed from 1000 degrees C to 1300 degrees C for (Ti,Al)(OxN1-x) compared to (Ti,Al)N. This thermal stability enhancement can be rationalized based on calculated vacancy formation energies in combination with spatially-resolved composition analysis and calorimetric data: Energy dispersive X-ray spectroscopy and atom probe tomography data indicate a lower O solubility in wurtzite solid solution compared to cubic (Ti,Al)(O,N). Hence, it is evident that for the growth of the wurtzite, AlN-rich phase in (Ti,Al)N, only mobility of Ti and Al is required, while for (Ti,Al)(O,N), in addition to mobile metal atoms, also non-metal mobility is required. Prerequisite for mobility on the non-metal sublattice is the formation of non-metal vacancies which require larger temperatures than for the metal sublattice due to significantly larger magnitudes of formation energies for the non-metal vacancies compared to the metal vacancies. This notion is consistent with calorimetry data which indicate that the combined energy necessary to form and grow the wurtzite phase is larger by a factor of approximately two in (Ti,Al)(O,N) than in (Ti,Al)N, causing the here reported thermal stability increase. (C) 2021 Acta Materialia Inc. Published by Elsevier Ltd. All rights reserved.
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| 9. |
- Holzapfel, Damian M., et al.
(författare)
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Influence of ion irradiation-induced defects on phase formation and thermal stability of Ti0.27Al0.21N0.52 coatings
- 2022
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Ingår i: Acta Materialia. - : Elsevier. - 1359-6454 .- 1873-2453. ; 237
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Tidskriftsartikel (refereegranskat)abstract
- The influence of changes induced by ion irradiation on structure and thermal stability of metastable cubic (Ti,Al)N coatings deposited by cathodic arc evaporation is systematically investigated by correlating experiments and theory. Decreasing the nitrogen deposition pressure from 5.0 to 0.5 Pa results in an ion flux-enhancement by a factor of three and an increase of the average ion energy from 15 to 30 eV, causing the stress-free lattice parameter to expand from 4.170 to 4.206 Å, while the chemical composition of Ti0.27Al0.21N0.52 remains unchanged. The 0.9% lattice parameter increase is a consequence of formation of Frenkel pairs induced by ion bombardment, as revealed by density functional theory (DFT) simulations. The influence of the presence of Frenkel pairs on the thermal stability of metastable Ti0.27Al0.21N0.52 is investigated by scanning transmission electron microscopy, differential scanning calorimetry, atom probe tomography and in-situ synchrotron X-ray powder diffraction. It is demonstrated that the ion flux and ion energy induced formation of Frenkel pairs increases the thermal stability as the Al diffusion enabled crystallization of the wurtzite solid solution is retarded. This can be rationalized by DFT predictions since the presence of Frenkel pairs increases the activation energy for Al diffusion by up to 142%. Hence, the thermal stability enhancement is caused by a hitherto unreported mechanism - the Frenkel pair impeded Al mobility and thereby retarded formation of wurtzite solid solution.
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| 10. |
- Kaplan, Maciej, et al.
(författare)
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Phase formation and thermal stability of amorphous ZrNbCrMo thin films
- 2021
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Ingår i: Journal of Non-Crystalline Solids. - : Elsevier BV. - 0022-3093 .- 1873-4812 .- 2590-1591. ; 9-10, s. 100061-100061
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Tidskriftsartikel (refereegranskat)abstract
- We demonstrate that the atomic size mismatch, δ, can be used to predict the boundary between amorphous and crystalline phase formation ranges in ZrNbCrMo thin films. The concentrations of all alloying elements are varied systematically, which induces a change in δ. The formation of an amorphous phase is observed by x-ray diffraction for δ ≥ 6.9%, whereas crystallization is detected for δ ≤ 6.9%. The crystallization temperature increases from 575 to 625 ∘C by increasing Nb + Mo content from 10 to 34 at.%, and decreases to 475 ∘C upon further additions of Nb + Mo. Calphad calculated liquidus temperatures, Tl, increases monotonously and δ decreases monotonously with Nb and Mo additions. Consequently, δ and Tl do not serve as predictors for thermal stability of ZrNbCrMo thin films.
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