Periodic Grain Boundary Grooves: Analytic Model, Formation Energies, and Phase-Field Comparison

Abstract Analytic profiles for periodic grain boundary grooves (PGBGs) were determined from variational theory. Variational profiles represent stationary solid-liquid profiles with abrupt, zero-thickness, transitions between adjoining phases. Variational PGBGs consequently lack tangential interfacia...
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Autor*in:	Glicksman, Martin E. [verfasserIn] Wu, Peichen Ankit, Kumar

Format:	E-Artikel
Sprache:	Englisch

Erschienen:	2022

Schlagwörter:	capillarity grain boundary grooves interface stability phase-field modeling solid-liquid interfaces surface Laplacian surface thermodynamics

Anmerkung:	© ASM International 2022

Übergeordnetes Werk:	Enthalten in: Journal of phase equilibria and diffusion - Boston, Mass. : Springer, 2004, 43(2022), 6 vom: 18. Juli, Seite 718-737
Übergeordnetes Werk:	volume:43 ; year:2022 ; number:6 ; day:18 ; month:07 ; pages:718-737

Links:	Volltext

DOI / URN:	10.1007/s11669-022-00967-4

Katalog-ID:	SPR049435892

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520			\|a Abstract Analytic profiles for periodic grain boundary grooves (PGBGs) were determined from variational theory. Variational profiles represent stationary solid-liquid profiles with abrupt, zero-thickness, transitions between adjoining phases. Variational PGBGs consequently lack tangential interfacial fluxes, the existence of which requires more realistic (non-zero) interfacial thicknesses that allow energy and solute transport. Variational profiles, however, permit field-theoretic calculations of their scaled formation free energy and thermodynamic stability, capillary-mediated chemical potentials, and their associated vector gradient distributions, all of which depend on a profile’s geometry, not its thickness. Despite the fact that variational profiles are denied interface fluxes, one may, nevertheless, impute shape-dependent interface transport in the form of a profile’s surface Laplacian of its presumptive chemical potential distribution due to capillarity. We compare variational surface Laplacians with residuals of the thermochemical potential measured along counterpart diffuse-interface PGBGs, simulated via phase-field with metrically-proportional profiles. Fundamentally, it is the thickness of a microstructure’s interfaces and its shape that co-determine whether, and to what extent, gradients of the chemical potential excite fluxes that transport energy and/or solute. PGBGs, both variational and simulated, greatly expand the limited universe of solid-liquid microstructures suitable for steady-state thermodynamic analysis. Understanding the origin and action of these capillary-mediated interfacial fields opens a pathway for estimating and, eventually, measuring how solid-liquid interface thickness modifies the transport of energy and solute during solidification and crystal growth, and influences microstructure.
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700	1		\|a Wu, Peichen \|4 aut
700	1		\|a Ankit, Kumar \|4 aut
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allfields	10.1007/s11669-022-00967-4 doi (DE-627)SPR049435892 (SPR)s11669-022-00967-4-e DE-627 ger DE-627 rakwb eng Glicksman, Martin E. verfasserin (orcid)0000-0002-2675-2759 aut Periodic Grain Boundary Grooves: Analytic Model, Formation Energies, and Phase-Field Comparison 2022 Text txt rdacontent Computermedien c rdamedia Online-Ressource cr rdacarrier © ASM International 2022 Abstract Analytic profiles for periodic grain boundary grooves (PGBGs) were determined from variational theory. Variational profiles represent stationary solid-liquid profiles with abrupt, zero-thickness, transitions between adjoining phases. Variational PGBGs consequently lack tangential interfacial fluxes, the existence of which requires more realistic (non-zero) interfacial thicknesses that allow energy and solute transport. Variational profiles, however, permit field-theoretic calculations of their scaled formation free energy and thermodynamic stability, capillary-mediated chemical potentials, and their associated vector gradient distributions, all of which depend on a profile’s geometry, not its thickness. Despite the fact that variational profiles are denied interface fluxes, one may, nevertheless, impute shape-dependent interface transport in the form of a profile’s surface Laplacian of its presumptive chemical potential distribution due to capillarity. We compare variational surface Laplacians with residuals of the thermochemical potential measured along counterpart diffuse-interface PGBGs, simulated via phase-field with metrically-proportional profiles. Fundamentally, it is the thickness of a microstructure’s interfaces and its shape that co-determine whether, and to what extent, gradients of the chemical potential excite fluxes that transport energy and/or solute. PGBGs, both variational and simulated, greatly expand the limited universe of solid-liquid microstructures suitable for steady-state thermodynamic analysis. Understanding the origin and action of these capillary-mediated interfacial fields opens a pathway for estimating and, eventually, measuring how solid-liquid interface thickness modifies the transport of energy and solute during solidification and crystal growth, and influences microstructure. capillarity (dpeaa)DE-He213 grain boundary grooves (dpeaa)DE-He213 interface stability (dpeaa)DE-He213 phase-field modeling (dpeaa)DE-He213 solid-liquid interfaces (dpeaa)DE-He213 surface Laplacian (dpeaa)DE-He213 surface thermodynamics (dpeaa)DE-He213 Wu, Peichen aut Ankit, Kumar aut Enthalten in Journal of phase equilibria and diffusion Boston, Mass. : Springer, 2004 43(2022), 6 vom: 18. Juli, Seite 718-737 (DE-627)626050863 (DE-600)2552809-9 1863-7345 nnns volume:43 year:2022 number:6 day:18 month:07 pages:718-737 https://dx.doi.org/10.1007/s11669-022-00967-4 lizenzpflichtig Volltext GBV_USEFLAG_A SYSFLAG_A GBV_SPRINGER GBV_ILN_11 GBV_ILN_20 GBV_ILN_22 GBV_ILN_23 GBV_ILN_24 GBV_ILN_31 GBV_ILN_32 GBV_ILN_39 GBV_ILN_40 GBV_ILN_60 GBV_ILN_62 GBV_ILN_63 GBV_ILN_65 GBV_ILN_69 GBV_ILN_70 GBV_ILN_73 GBV_ILN_74 GBV_ILN_90 GBV_ILN_95 GBV_ILN_100 GBV_ILN_101 GBV_ILN_105 GBV_ILN_110 GBV_ILN_120 GBV_ILN_138 GBV_ILN_150 GBV_ILN_151 GBV_ILN_152 GBV_ILN_161 GBV_ILN_170 GBV_ILN_171 GBV_ILN_187 GBV_ILN_206 GBV_ILN_213 GBV_ILN_224 GBV_ILN_230 GBV_ILN_250 GBV_ILN_281 GBV_ILN_285 GBV_ILN_293 GBV_ILN_370 GBV_ILN_602 GBV_ILN_636 GBV_ILN_702 GBV_ILN_2001 GBV_ILN_2003 GBV_ILN_2004 GBV_ILN_2005 GBV_ILN_2006 GBV_ILN_2007 GBV_ILN_2008 GBV_ILN_2009 GBV_ILN_2010 GBV_ILN_2011 GBV_ILN_2014 GBV_ILN_2015 GBV_ILN_2020 GBV_ILN_2021 GBV_ILN_2025 GBV_ILN_2026 GBV_ILN_2027 GBV_ILN_2031 GBV_ILN_2034 GBV_ILN_2037 GBV_ILN_2038 GBV_ILN_2039 GBV_ILN_2044 GBV_ILN_2048 GBV_ILN_2049 GBV_ILN_2050 GBV_ILN_2055 GBV_ILN_2056 GBV_ILN_2057 GBV_ILN_2059 GBV_ILN_2061 GBV_ILN_2064 GBV_ILN_2065 GBV_ILN_2068 GBV_ILN_2088 GBV_ILN_2093 GBV_ILN_2106 GBV_ILN_2107 GBV_ILN_2108 GBV_ILN_2110 GBV_ILN_2111 GBV_ILN_2112 GBV_ILN_2113 GBV_ILN_2118 GBV_ILN_2119 GBV_ILN_2122 GBV_ILN_2129 GBV_ILN_2143 GBV_ILN_2144 GBV_ILN_2147 GBV_ILN_2148 GBV_ILN_2152 GBV_ILN_2153 GBV_ILN_2188 GBV_ILN_2190 GBV_ILN_2232 GBV_ILN_2336 GBV_ILN_2446 GBV_ILN_2470 GBV_ILN_2472 GBV_ILN_2507 GBV_ILN_2522 GBV_ILN_2548 GBV_ILN_4035 GBV_ILN_4037 GBV_ILN_4046 GBV_ILN_4112 GBV_ILN_4125 GBV_ILN_4126 GBV_ILN_4242 GBV_ILN_4246 GBV_ILN_4249 GBV_ILN_4251 GBV_ILN_4305 GBV_ILN_4306 GBV_ILN_4307 GBV_ILN_4313 GBV_ILN_4322 GBV_ILN_4323 GBV_ILN_4324 GBV_ILN_4325 GBV_ILN_4326 GBV_ILN_4328 GBV_ILN_4333 GBV_ILN_4334 GBV_ILN_4335 GBV_ILN_4336 GBV_ILN_4338 GBV_ILN_4393 GBV_ILN_4700 AR 43 2022 6 18 07 718-737
spelling	10.1007/s11669-022-00967-4 doi (DE-627)SPR049435892 (SPR)s11669-022-00967-4-e DE-627 ger DE-627 rakwb eng Glicksman, Martin E. verfasserin (orcid)0000-0002-2675-2759 aut Periodic Grain Boundary Grooves: Analytic Model, Formation Energies, and Phase-Field Comparison 2022 Text txt rdacontent Computermedien c rdamedia Online-Ressource cr rdacarrier © ASM International 2022 Abstract Analytic profiles for periodic grain boundary grooves (PGBGs) were determined from variational theory. Variational profiles represent stationary solid-liquid profiles with abrupt, zero-thickness, transitions between adjoining phases. Variational PGBGs consequently lack tangential interfacial fluxes, the existence of which requires more realistic (non-zero) interfacial thicknesses that allow energy and solute transport. Variational profiles, however, permit field-theoretic calculations of their scaled formation free energy and thermodynamic stability, capillary-mediated chemical potentials, and their associated vector gradient distributions, all of which depend on a profile’s geometry, not its thickness. Despite the fact that variational profiles are denied interface fluxes, one may, nevertheless, impute shape-dependent interface transport in the form of a profile’s surface Laplacian of its presumptive chemical potential distribution due to capillarity. We compare variational surface Laplacians with residuals of the thermochemical potential measured along counterpart diffuse-interface PGBGs, simulated via phase-field with metrically-proportional profiles. Fundamentally, it is the thickness of a microstructure’s interfaces and its shape that co-determine whether, and to what extent, gradients of the chemical potential excite fluxes that transport energy and/or solute. PGBGs, both variational and simulated, greatly expand the limited universe of solid-liquid microstructures suitable for steady-state thermodynamic analysis. Understanding the origin and action of these capillary-mediated interfacial fields opens a pathway for estimating and, eventually, measuring how solid-liquid interface thickness modifies the transport of energy and solute during solidification and crystal growth, and influences microstructure. capillarity (dpeaa)DE-He213 grain boundary grooves (dpeaa)DE-He213 interface stability (dpeaa)DE-He213 phase-field modeling (dpeaa)DE-He213 solid-liquid interfaces (dpeaa)DE-He213 surface Laplacian (dpeaa)DE-He213 surface thermodynamics (dpeaa)DE-He213 Wu, Peichen aut Ankit, Kumar aut Enthalten in Journal of phase equilibria and diffusion Boston, Mass. : Springer, 2004 43(2022), 6 vom: 18. Juli, Seite 718-737 (DE-627)626050863 (DE-600)2552809-9 1863-7345 nnns volume:43 year:2022 number:6 day:18 month:07 pages:718-737 https://dx.doi.org/10.1007/s11669-022-00967-4 lizenzpflichtig Volltext GBV_USEFLAG_A SYSFLAG_A GBV_SPRINGER GBV_ILN_11 GBV_ILN_20 GBV_ILN_22 GBV_ILN_23 GBV_ILN_24 GBV_ILN_31 GBV_ILN_32 GBV_ILN_39 GBV_ILN_40 GBV_ILN_60 GBV_ILN_62 GBV_ILN_63 GBV_ILN_65 GBV_ILN_69 GBV_ILN_70 GBV_ILN_73 GBV_ILN_74 GBV_ILN_90 GBV_ILN_95 GBV_ILN_100 GBV_ILN_101 GBV_ILN_105 GBV_ILN_110 GBV_ILN_120 GBV_ILN_138 GBV_ILN_150 GBV_ILN_151 GBV_ILN_152 GBV_ILN_161 GBV_ILN_170 GBV_ILN_171 GBV_ILN_187 GBV_ILN_206 GBV_ILN_213 GBV_ILN_224 GBV_ILN_230 GBV_ILN_250 GBV_ILN_281 GBV_ILN_285 GBV_ILN_293 GBV_ILN_370 GBV_ILN_602 GBV_ILN_636 GBV_ILN_702 GBV_ILN_2001 GBV_ILN_2003 GBV_ILN_2004 GBV_ILN_2005 GBV_ILN_2006 GBV_ILN_2007 GBV_ILN_2008 GBV_ILN_2009 GBV_ILN_2010 GBV_ILN_2011 GBV_ILN_2014 GBV_ILN_2015 GBV_ILN_2020 GBV_ILN_2021 GBV_ILN_2025 GBV_ILN_2026 GBV_ILN_2027 GBV_ILN_2031 GBV_ILN_2034 GBV_ILN_2037 GBV_ILN_2038 GBV_ILN_2039 GBV_ILN_2044 GBV_ILN_2048 GBV_ILN_2049 GBV_ILN_2050 GBV_ILN_2055 GBV_ILN_2056 GBV_ILN_2057 GBV_ILN_2059 GBV_ILN_2061 GBV_ILN_2064 GBV_ILN_2065 GBV_ILN_2068 GBV_ILN_2088 GBV_ILN_2093 GBV_ILN_2106 GBV_ILN_2107 GBV_ILN_2108 GBV_ILN_2110 GBV_ILN_2111 GBV_ILN_2112 GBV_ILN_2113 GBV_ILN_2118 GBV_ILN_2119 GBV_ILN_2122 GBV_ILN_2129 GBV_ILN_2143 GBV_ILN_2144 GBV_ILN_2147 GBV_ILN_2148 GBV_ILN_2152 GBV_ILN_2153 GBV_ILN_2188 GBV_ILN_2190 GBV_ILN_2232 GBV_ILN_2336 GBV_ILN_2446 GBV_ILN_2470 GBV_ILN_2472 GBV_ILN_2507 GBV_ILN_2522 GBV_ILN_2548 GBV_ILN_4035 GBV_ILN_4037 GBV_ILN_4046 GBV_ILN_4112 GBV_ILN_4125 GBV_ILN_4126 GBV_ILN_4242 GBV_ILN_4246 GBV_ILN_4249 GBV_ILN_4251 GBV_ILN_4305 GBV_ILN_4306 GBV_ILN_4307 GBV_ILN_4313 GBV_ILN_4322 GBV_ILN_4323 GBV_ILN_4324 GBV_ILN_4325 GBV_ILN_4326 GBV_ILN_4328 GBV_ILN_4333 GBV_ILN_4334 GBV_ILN_4335 GBV_ILN_4336 GBV_ILN_4338 GBV_ILN_4393 GBV_ILN_4700 AR 43 2022 6 18 07 718-737
allfields_unstemmed	10.1007/s11669-022-00967-4 doi (DE-627)SPR049435892 (SPR)s11669-022-00967-4-e DE-627 ger DE-627 rakwb eng Glicksman, Martin E. verfasserin (orcid)0000-0002-2675-2759 aut Periodic Grain Boundary Grooves: Analytic Model, Formation Energies, and Phase-Field Comparison 2022 Text txt rdacontent Computermedien c rdamedia Online-Ressource cr rdacarrier © ASM International 2022 Abstract Analytic profiles for periodic grain boundary grooves (PGBGs) were determined from variational theory. Variational profiles represent stationary solid-liquid profiles with abrupt, zero-thickness, transitions between adjoining phases. Variational PGBGs consequently lack tangential interfacial fluxes, the existence of which requires more realistic (non-zero) interfacial thicknesses that allow energy and solute transport. Variational profiles, however, permit field-theoretic calculations of their scaled formation free energy and thermodynamic stability, capillary-mediated chemical potentials, and their associated vector gradient distributions, all of which depend on a profile’s geometry, not its thickness. Despite the fact that variational profiles are denied interface fluxes, one may, nevertheless, impute shape-dependent interface transport in the form of a profile’s surface Laplacian of its presumptive chemical potential distribution due to capillarity. We compare variational surface Laplacians with residuals of the thermochemical potential measured along counterpart diffuse-interface PGBGs, simulated via phase-field with metrically-proportional profiles. Fundamentally, it is the thickness of a microstructure’s interfaces and its shape that co-determine whether, and to what extent, gradients of the chemical potential excite fluxes that transport energy and/or solute. PGBGs, both variational and simulated, greatly expand the limited universe of solid-liquid microstructures suitable for steady-state thermodynamic analysis. Understanding the origin and action of these capillary-mediated interfacial fields opens a pathway for estimating and, eventually, measuring how solid-liquid interface thickness modifies the transport of energy and solute during solidification and crystal growth, and influences microstructure. capillarity (dpeaa)DE-He213 grain boundary grooves (dpeaa)DE-He213 interface stability (dpeaa)DE-He213 phase-field modeling (dpeaa)DE-He213 solid-liquid interfaces (dpeaa)DE-He213 surface Laplacian (dpeaa)DE-He213 surface thermodynamics (dpeaa)DE-He213 Wu, Peichen aut Ankit, Kumar aut Enthalten in Journal of phase equilibria and diffusion Boston, Mass. : Springer, 2004 43(2022), 6 vom: 18. Juli, Seite 718-737 (DE-627)626050863 (DE-600)2552809-9 1863-7345 nnns volume:43 year:2022 number:6 day:18 month:07 pages:718-737 https://dx.doi.org/10.1007/s11669-022-00967-4 lizenzpflichtig Volltext GBV_USEFLAG_A SYSFLAG_A GBV_SPRINGER GBV_ILN_11 GBV_ILN_20 GBV_ILN_22 GBV_ILN_23 GBV_ILN_24 GBV_ILN_31 GBV_ILN_32 GBV_ILN_39 GBV_ILN_40 GBV_ILN_60 GBV_ILN_62 GBV_ILN_63 GBV_ILN_65 GBV_ILN_69 GBV_ILN_70 GBV_ILN_73 GBV_ILN_74 GBV_ILN_90 GBV_ILN_95 GBV_ILN_100 GBV_ILN_101 GBV_ILN_105 GBV_ILN_110 GBV_ILN_120 GBV_ILN_138 GBV_ILN_150 GBV_ILN_151 GBV_ILN_152 GBV_ILN_161 GBV_ILN_170 GBV_ILN_171 GBV_ILN_187 GBV_ILN_206 GBV_ILN_213 GBV_ILN_224 GBV_ILN_230 GBV_ILN_250 GBV_ILN_281 GBV_ILN_285 GBV_ILN_293 GBV_ILN_370 GBV_ILN_602 GBV_ILN_636 GBV_ILN_702 GBV_ILN_2001 GBV_ILN_2003 GBV_ILN_2004 GBV_ILN_2005 GBV_ILN_2006 GBV_ILN_2007 GBV_ILN_2008 GBV_ILN_2009 GBV_ILN_2010 GBV_ILN_2011 GBV_ILN_2014 GBV_ILN_2015 GBV_ILN_2020 GBV_ILN_2021 GBV_ILN_2025 GBV_ILN_2026 GBV_ILN_2027 GBV_ILN_2031 GBV_ILN_2034 GBV_ILN_2037 GBV_ILN_2038 GBV_ILN_2039 GBV_ILN_2044 GBV_ILN_2048 GBV_ILN_2049 GBV_ILN_2050 GBV_ILN_2055 GBV_ILN_2056 GBV_ILN_2057 GBV_ILN_2059 GBV_ILN_2061 GBV_ILN_2064 GBV_ILN_2065 GBV_ILN_2068 GBV_ILN_2088 GBV_ILN_2093 GBV_ILN_2106 GBV_ILN_2107 GBV_ILN_2108 GBV_ILN_2110 GBV_ILN_2111 GBV_ILN_2112 GBV_ILN_2113 GBV_ILN_2118 GBV_ILN_2119 GBV_ILN_2122 GBV_ILN_2129 GBV_ILN_2143 GBV_ILN_2144 GBV_ILN_2147 GBV_ILN_2148 GBV_ILN_2152 GBV_ILN_2153 GBV_ILN_2188 GBV_ILN_2190 GBV_ILN_2232 GBV_ILN_2336 GBV_ILN_2446 GBV_ILN_2470 GBV_ILN_2472 GBV_ILN_2507 GBV_ILN_2522 GBV_ILN_2548 GBV_ILN_4035 GBV_ILN_4037 GBV_ILN_4046 GBV_ILN_4112 GBV_ILN_4125 GBV_ILN_4126 GBV_ILN_4242 GBV_ILN_4246 GBV_ILN_4249 GBV_ILN_4251 GBV_ILN_4305 GBV_ILN_4306 GBV_ILN_4307 GBV_ILN_4313 GBV_ILN_4322 GBV_ILN_4323 GBV_ILN_4324 GBV_ILN_4325 GBV_ILN_4326 GBV_ILN_4328 GBV_ILN_4333 GBV_ILN_4334 GBV_ILN_4335 GBV_ILN_4336 GBV_ILN_4338 GBV_ILN_4393 GBV_ILN_4700 AR 43 2022 6 18 07 718-737
allfieldsGer	10.1007/s11669-022-00967-4 doi (DE-627)SPR049435892 (SPR)s11669-022-00967-4-e DE-627 ger DE-627 rakwb eng Glicksman, Martin E. verfasserin (orcid)0000-0002-2675-2759 aut Periodic Grain Boundary Grooves: Analytic Model, Formation Energies, and Phase-Field Comparison 2022 Text txt rdacontent Computermedien c rdamedia Online-Ressource cr rdacarrier © ASM International 2022 Abstract Analytic profiles for periodic grain boundary grooves (PGBGs) were determined from variational theory. Variational profiles represent stationary solid-liquid profiles with abrupt, zero-thickness, transitions between adjoining phases. Variational PGBGs consequently lack tangential interfacial fluxes, the existence of which requires more realistic (non-zero) interfacial thicknesses that allow energy and solute transport. Variational profiles, however, permit field-theoretic calculations of their scaled formation free energy and thermodynamic stability, capillary-mediated chemical potentials, and their associated vector gradient distributions, all of which depend on a profile’s geometry, not its thickness. Despite the fact that variational profiles are denied interface fluxes, one may, nevertheless, impute shape-dependent interface transport in the form of a profile’s surface Laplacian of its presumptive chemical potential distribution due to capillarity. We compare variational surface Laplacians with residuals of the thermochemical potential measured along counterpart diffuse-interface PGBGs, simulated via phase-field with metrically-proportional profiles. Fundamentally, it is the thickness of a microstructure’s interfaces and its shape that co-determine whether, and to what extent, gradients of the chemical potential excite fluxes that transport energy and/or solute. PGBGs, both variational and simulated, greatly expand the limited universe of solid-liquid microstructures suitable for steady-state thermodynamic analysis. Understanding the origin and action of these capillary-mediated interfacial fields opens a pathway for estimating and, eventually, measuring how solid-liquid interface thickness modifies the transport of energy and solute during solidification and crystal growth, and influences microstructure. capillarity (dpeaa)DE-He213 grain boundary grooves (dpeaa)DE-He213 interface stability (dpeaa)DE-He213 phase-field modeling (dpeaa)DE-He213 solid-liquid interfaces (dpeaa)DE-He213 surface Laplacian (dpeaa)DE-He213 surface thermodynamics (dpeaa)DE-He213 Wu, Peichen aut Ankit, Kumar aut Enthalten in Journal of phase equilibria and diffusion Boston, Mass. : Springer, 2004 43(2022), 6 vom: 18. Juli, Seite 718-737 (DE-627)626050863 (DE-600)2552809-9 1863-7345 nnns volume:43 year:2022 number:6 day:18 month:07 pages:718-737 https://dx.doi.org/10.1007/s11669-022-00967-4 lizenzpflichtig Volltext GBV_USEFLAG_A SYSFLAG_A GBV_SPRINGER GBV_ILN_11 GBV_ILN_20 GBV_ILN_22 GBV_ILN_23 GBV_ILN_24 GBV_ILN_31 GBV_ILN_32 GBV_ILN_39 GBV_ILN_40 GBV_ILN_60 GBV_ILN_62 GBV_ILN_63 GBV_ILN_65 GBV_ILN_69 GBV_ILN_70 GBV_ILN_73 GBV_ILN_74 GBV_ILN_90 GBV_ILN_95 GBV_ILN_100 GBV_ILN_101 GBV_ILN_105 GBV_ILN_110 GBV_ILN_120 GBV_ILN_138 GBV_ILN_150 GBV_ILN_151 GBV_ILN_152 GBV_ILN_161 GBV_ILN_170 GBV_ILN_171 GBV_ILN_187 GBV_ILN_206 GBV_ILN_213 GBV_ILN_224 GBV_ILN_230 GBV_ILN_250 GBV_ILN_281 GBV_ILN_285 GBV_ILN_293 GBV_ILN_370 GBV_ILN_602 GBV_ILN_636 GBV_ILN_702 GBV_ILN_2001 GBV_ILN_2003 GBV_ILN_2004 GBV_ILN_2005 GBV_ILN_2006 GBV_ILN_2007 GBV_ILN_2008 GBV_ILN_2009 GBV_ILN_2010 GBV_ILN_2011 GBV_ILN_2014 GBV_ILN_2015 GBV_ILN_2020 GBV_ILN_2021 GBV_ILN_2025 GBV_ILN_2026 GBV_ILN_2027 GBV_ILN_2031 GBV_ILN_2034 GBV_ILN_2037 GBV_ILN_2038 GBV_ILN_2039 GBV_ILN_2044 GBV_ILN_2048 GBV_ILN_2049 GBV_ILN_2050 GBV_ILN_2055 GBV_ILN_2056 GBV_ILN_2057 GBV_ILN_2059 GBV_ILN_2061 GBV_ILN_2064 GBV_ILN_2065 GBV_ILN_2068 GBV_ILN_2088 GBV_ILN_2093 GBV_ILN_2106 GBV_ILN_2107 GBV_ILN_2108 GBV_ILN_2110 GBV_ILN_2111 GBV_ILN_2112 GBV_ILN_2113 GBV_ILN_2118 GBV_ILN_2119 GBV_ILN_2122 GBV_ILN_2129 GBV_ILN_2143 GBV_ILN_2144 GBV_ILN_2147 GBV_ILN_2148 GBV_ILN_2152 GBV_ILN_2153 GBV_ILN_2188 GBV_ILN_2190 GBV_ILN_2232 GBV_ILN_2336 GBV_ILN_2446 GBV_ILN_2470 GBV_ILN_2472 GBV_ILN_2507 GBV_ILN_2522 GBV_ILN_2548 GBV_ILN_4035 GBV_ILN_4037 GBV_ILN_4046 GBV_ILN_4112 GBV_ILN_4125 GBV_ILN_4126 GBV_ILN_4242 GBV_ILN_4246 GBV_ILN_4249 GBV_ILN_4251 GBV_ILN_4305 GBV_ILN_4306 GBV_ILN_4307 GBV_ILN_4313 GBV_ILN_4322 GBV_ILN_4323 GBV_ILN_4324 GBV_ILN_4325 GBV_ILN_4326 GBV_ILN_4328 GBV_ILN_4333 GBV_ILN_4334 GBV_ILN_4335 GBV_ILN_4336 GBV_ILN_4338 GBV_ILN_4393 GBV_ILN_4700 AR 43 2022 6 18 07 718-737
allfieldsSound	10.1007/s11669-022-00967-4 doi (DE-627)SPR049435892 (SPR)s11669-022-00967-4-e DE-627 ger DE-627 rakwb eng Glicksman, Martin E. verfasserin (orcid)0000-0002-2675-2759 aut Periodic Grain Boundary Grooves: Analytic Model, Formation Energies, and Phase-Field Comparison 2022 Text txt rdacontent Computermedien c rdamedia Online-Ressource cr rdacarrier © ASM International 2022 Abstract Analytic profiles for periodic grain boundary grooves (PGBGs) were determined from variational theory. Variational profiles represent stationary solid-liquid profiles with abrupt, zero-thickness, transitions between adjoining phases. Variational PGBGs consequently lack tangential interfacial fluxes, the existence of which requires more realistic (non-zero) interfacial thicknesses that allow energy and solute transport. Variational profiles, however, permit field-theoretic calculations of their scaled formation free energy and thermodynamic stability, capillary-mediated chemical potentials, and their associated vector gradient distributions, all of which depend on a profile’s geometry, not its thickness. Despite the fact that variational profiles are denied interface fluxes, one may, nevertheless, impute shape-dependent interface transport in the form of a profile’s surface Laplacian of its presumptive chemical potential distribution due to capillarity. We compare variational surface Laplacians with residuals of the thermochemical potential measured along counterpart diffuse-interface PGBGs, simulated via phase-field with metrically-proportional profiles. Fundamentally, it is the thickness of a microstructure’s interfaces and its shape that co-determine whether, and to what extent, gradients of the chemical potential excite fluxes that transport energy and/or solute. PGBGs, both variational and simulated, greatly expand the limited universe of solid-liquid microstructures suitable for steady-state thermodynamic analysis. Understanding the origin and action of these capillary-mediated interfacial fields opens a pathway for estimating and, eventually, measuring how solid-liquid interface thickness modifies the transport of energy and solute during solidification and crystal growth, and influences microstructure. capillarity (dpeaa)DE-He213 grain boundary grooves (dpeaa)DE-He213 interface stability (dpeaa)DE-He213 phase-field modeling (dpeaa)DE-He213 solid-liquid interfaces (dpeaa)DE-He213 surface Laplacian (dpeaa)DE-He213 surface thermodynamics (dpeaa)DE-He213 Wu, Peichen aut Ankit, Kumar aut Enthalten in Journal of phase equilibria and diffusion Boston, Mass. : Springer, 2004 43(2022), 6 vom: 18. Juli, Seite 718-737 (DE-627)626050863 (DE-600)2552809-9 1863-7345 nnns volume:43 year:2022 number:6 day:18 month:07 pages:718-737 https://dx.doi.org/10.1007/s11669-022-00967-4 lizenzpflichtig Volltext GBV_USEFLAG_A SYSFLAG_A GBV_SPRINGER GBV_ILN_11 GBV_ILN_20 GBV_ILN_22 GBV_ILN_23 GBV_ILN_24 GBV_ILN_31 GBV_ILN_32 GBV_ILN_39 GBV_ILN_40 GBV_ILN_60 GBV_ILN_62 GBV_ILN_63 GBV_ILN_65 GBV_ILN_69 GBV_ILN_70 GBV_ILN_73 GBV_ILN_74 GBV_ILN_90 GBV_ILN_95 GBV_ILN_100 GBV_ILN_101 GBV_ILN_105 GBV_ILN_110 GBV_ILN_120 GBV_ILN_138 GBV_ILN_150 GBV_ILN_151 GBV_ILN_152 GBV_ILN_161 GBV_ILN_170 GBV_ILN_171 GBV_ILN_187 GBV_ILN_206 GBV_ILN_213 GBV_ILN_224 GBV_ILN_230 GBV_ILN_250 GBV_ILN_281 GBV_ILN_285 GBV_ILN_293 GBV_ILN_370 GBV_ILN_602 GBV_ILN_636 GBV_ILN_702 GBV_ILN_2001 GBV_ILN_2003 GBV_ILN_2004 GBV_ILN_2005 GBV_ILN_2006 GBV_ILN_2007 GBV_ILN_2008 GBV_ILN_2009 GBV_ILN_2010 GBV_ILN_2011 GBV_ILN_2014 GBV_ILN_2015 GBV_ILN_2020 GBV_ILN_2021 GBV_ILN_2025 GBV_ILN_2026 GBV_ILN_2027 GBV_ILN_2031 GBV_ILN_2034 GBV_ILN_2037 GBV_ILN_2038 GBV_ILN_2039 GBV_ILN_2044 GBV_ILN_2048 GBV_ILN_2049 GBV_ILN_2050 GBV_ILN_2055 GBV_ILN_2056 GBV_ILN_2057 GBV_ILN_2059 GBV_ILN_2061 GBV_ILN_2064 GBV_ILN_2065 GBV_ILN_2068 GBV_ILN_2088 GBV_ILN_2093 GBV_ILN_2106 GBV_ILN_2107 GBV_ILN_2108 GBV_ILN_2110 GBV_ILN_2111 GBV_ILN_2112 GBV_ILN_2113 GBV_ILN_2118 GBV_ILN_2119 GBV_ILN_2122 GBV_ILN_2129 GBV_ILN_2143 GBV_ILN_2144 GBV_ILN_2147 GBV_ILN_2148 GBV_ILN_2152 GBV_ILN_2153 GBV_ILN_2188 GBV_ILN_2190 GBV_ILN_2232 GBV_ILN_2336 GBV_ILN_2446 GBV_ILN_2470 GBV_ILN_2472 GBV_ILN_2507 GBV_ILN_2522 GBV_ILN_2548 GBV_ILN_4035 GBV_ILN_4037 GBV_ILN_4046 GBV_ILN_4112 GBV_ILN_4125 GBV_ILN_4126 GBV_ILN_4242 GBV_ILN_4246 GBV_ILN_4249 GBV_ILN_4251 GBV_ILN_4305 GBV_ILN_4306 GBV_ILN_4307 GBV_ILN_4313 GBV_ILN_4322 GBV_ILN_4323 GBV_ILN_4324 GBV_ILN_4325 GBV_ILN_4326 GBV_ILN_4328 GBV_ILN_4333 GBV_ILN_4334 GBV_ILN_4335 GBV_ILN_4336 GBV_ILN_4338 GBV_ILN_4393 GBV_ILN_4700 AR 43 2022 6 18 07 718-737
language	English
source	Enthalten in Journal of phase equilibria and diffusion 43(2022), 6 vom: 18. Juli, Seite 718-737 volume:43 year:2022 number:6 day:18 month:07 pages:718-737
sourceStr	Enthalten in Journal of phase equilibria and diffusion 43(2022), 6 vom: 18. Juli, Seite 718-737 volume:43 year:2022 number:6 day:18 month:07 pages:718-737
format_phy_str_mv	Article
institution	findex.gbv.de
topic_facet	capillarity grain boundary grooves interface stability phase-field modeling solid-liquid interfaces surface Laplacian surface thermodynamics
isfreeaccess_bool	false
container_title	Journal of phase equilibria and diffusion
authorswithroles_txt_mv	Glicksman, Martin E. @@aut@@ Wu, Peichen @@aut@@ Ankit, Kumar @@aut@@
publishDateDaySort_date	2022-07-18T00:00:00Z
hierarchy_top_id	626050863
id	SPR049435892
language_de	englisch
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author	Glicksman, Martin E.
spellingShingle	Glicksman, Martin E. misc capillarity misc grain boundary grooves misc interface stability misc phase-field modeling misc solid-liquid interfaces misc surface Laplacian misc surface thermodynamics Periodic Grain Boundary Grooves: Analytic Model, Formation Energies, and Phase-Field Comparison
authorStr	Glicksman, Martin E.
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topic_title	Periodic Grain Boundary Grooves: Analytic Model, Formation Energies, and Phase-Field Comparison capillarity (dpeaa)DE-He213 grain boundary grooves (dpeaa)DE-He213 interface stability (dpeaa)DE-He213 phase-field modeling (dpeaa)DE-He213 solid-liquid interfaces (dpeaa)DE-He213 surface Laplacian (dpeaa)DE-He213 surface thermodynamics (dpeaa)DE-He213
topic	misc capillarity misc grain boundary grooves misc interface stability misc phase-field modeling misc solid-liquid interfaces misc surface Laplacian misc surface thermodynamics
topic_unstemmed	misc capillarity misc grain boundary grooves misc interface stability misc phase-field modeling misc solid-liquid interfaces misc surface Laplacian misc surface thermodynamics
topic_browse	misc capillarity misc grain boundary grooves misc interface stability misc phase-field modeling misc solid-liquid interfaces misc surface Laplacian misc surface thermodynamics
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title	Periodic Grain Boundary Grooves: Analytic Model, Formation Energies, and Phase-Field Comparison
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title_full	Periodic Grain Boundary Grooves: Analytic Model, Formation Energies, and Phase-Field Comparison
author_sort	Glicksman, Martin E.
journal	Journal of phase equilibria and diffusion
journalStr	Journal of phase equilibria and diffusion
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author_browse	Glicksman, Martin E. Wu, Peichen Ankit, Kumar
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author-letter	Glicksman, Martin E.
doi_str_mv	10.1007/s11669-022-00967-4
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title_sort	periodic grain boundary grooves: analytic model, formation energies, and phase-field comparison
title_auth	Periodic Grain Boundary Grooves: Analytic Model, Formation Energies, and Phase-Field Comparison
abstract	Abstract Analytic profiles for periodic grain boundary grooves (PGBGs) were determined from variational theory. Variational profiles represent stationary solid-liquid profiles with abrupt, zero-thickness, transitions between adjoining phases. Variational PGBGs consequently lack tangential interfacial fluxes, the existence of which requires more realistic (non-zero) interfacial thicknesses that allow energy and solute transport. Variational profiles, however, permit field-theoretic calculations of their scaled formation free energy and thermodynamic stability, capillary-mediated chemical potentials, and their associated vector gradient distributions, all of which depend on a profile’s geometry, not its thickness. Despite the fact that variational profiles are denied interface fluxes, one may, nevertheless, impute shape-dependent interface transport in the form of a profile’s surface Laplacian of its presumptive chemical potential distribution due to capillarity. We compare variational surface Laplacians with residuals of the thermochemical potential measured along counterpart diffuse-interface PGBGs, simulated via phase-field with metrically-proportional profiles. Fundamentally, it is the thickness of a microstructure’s interfaces and its shape that co-determine whether, and to what extent, gradients of the chemical potential excite fluxes that transport energy and/or solute. PGBGs, both variational and simulated, greatly expand the limited universe of solid-liquid microstructures suitable for steady-state thermodynamic analysis. Understanding the origin and action of these capillary-mediated interfacial fields opens a pathway for estimating and, eventually, measuring how solid-liquid interface thickness modifies the transport of energy and solute during solidification and crystal growth, and influences microstructure. © ASM International 2022
abstractGer	Abstract Analytic profiles for periodic grain boundary grooves (PGBGs) were determined from variational theory. Variational profiles represent stationary solid-liquid profiles with abrupt, zero-thickness, transitions between adjoining phases. Variational PGBGs consequently lack tangential interfacial fluxes, the existence of which requires more realistic (non-zero) interfacial thicknesses that allow energy and solute transport. Variational profiles, however, permit field-theoretic calculations of their scaled formation free energy and thermodynamic stability, capillary-mediated chemical potentials, and their associated vector gradient distributions, all of which depend on a profile’s geometry, not its thickness. Despite the fact that variational profiles are denied interface fluxes, one may, nevertheless, impute shape-dependent interface transport in the form of a profile’s surface Laplacian of its presumptive chemical potential distribution due to capillarity. We compare variational surface Laplacians with residuals of the thermochemical potential measured along counterpart diffuse-interface PGBGs, simulated via phase-field with metrically-proportional profiles. Fundamentally, it is the thickness of a microstructure’s interfaces and its shape that co-determine whether, and to what extent, gradients of the chemical potential excite fluxes that transport energy and/or solute. PGBGs, both variational and simulated, greatly expand the limited universe of solid-liquid microstructures suitable for steady-state thermodynamic analysis. Understanding the origin and action of these capillary-mediated interfacial fields opens a pathway for estimating and, eventually, measuring how solid-liquid interface thickness modifies the transport of energy and solute during solidification and crystal growth, and influences microstructure. © ASM International 2022
abstract_unstemmed	Abstract Analytic profiles for periodic grain boundary grooves (PGBGs) were determined from variational theory. Variational profiles represent stationary solid-liquid profiles with abrupt, zero-thickness, transitions between adjoining phases. Variational PGBGs consequently lack tangential interfacial fluxes, the existence of which requires more realistic (non-zero) interfacial thicknesses that allow energy and solute transport. Variational profiles, however, permit field-theoretic calculations of their scaled formation free energy and thermodynamic stability, capillary-mediated chemical potentials, and their associated vector gradient distributions, all of which depend on a profile’s geometry, not its thickness. Despite the fact that variational profiles are denied interface fluxes, one may, nevertheless, impute shape-dependent interface transport in the form of a profile’s surface Laplacian of its presumptive chemical potential distribution due to capillarity. We compare variational surface Laplacians with residuals of the thermochemical potential measured along counterpart diffuse-interface PGBGs, simulated via phase-field with metrically-proportional profiles. Fundamentally, it is the thickness of a microstructure’s interfaces and its shape that co-determine whether, and to what extent, gradients of the chemical potential excite fluxes that transport energy and/or solute. PGBGs, both variational and simulated, greatly expand the limited universe of solid-liquid microstructures suitable for steady-state thermodynamic analysis. Understanding the origin and action of these capillary-mediated interfacial fields opens a pathway for estimating and, eventually, measuring how solid-liquid interface thickness modifies the transport of energy and solute during solidification and crystal growth, and influences microstructure. © ASM International 2022
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container_issue	6
title_short	Periodic Grain Boundary Grooves: Analytic Model, Formation Energies, and Phase-Field Comparison
url	https://dx.doi.org/10.1007/s11669-022-00967-4
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author2	Wu, Peichen Ankit, Kumar
author2Str	Wu, Peichen Ankit, Kumar
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doi_str	10.1007/s11669-022-00967-4
up_date	2024-07-04T00:48:05.922Z
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