Relevant bibliographies by topics / Surface phase transition

Academic literature on the topic 'Surface phase transition'

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Published: 4 June 2021
Last updated: 2 February 2022

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Journal articles on the topic "Surface phase transition"

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Yurov, V. M., S. A. Guchenko, V. Ch Laurinas, and O. N. Zavatskaya. "Structural phase transition in surface layer of metals." Bulletin of the Karaganda University. "Physics" Series 93, no. 1 (March 29, 2019): 50–60. http://dx.doi.org/10.31489/2019ph1/50-60.

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TERAOKA, Y. "PHASE TRANSITIONS ON ALLOY SURFACES." Surface Review and Letters 03, no. 05n06 (October 1996): 1791–809. http://dx.doi.org/10.1142/s0218625x96002734.

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Various kinds of quasi-two-dimensional order-disorder phase transitions on binary alloy surfaces are discussed on the basis of the lattice gas model with appropriate approximations. The importance of surface segregation is pointed out in understanding phase transitions on alloy surfaces. Ordered structures localized on the surfaces are found above the bulk transition temperature, and a possibility of finding surface ordered structures with a different symmetry from the bulk ordered one is discussed, too. As for both ordering and segregating alloys, semi-infinite systems with surfaces are discussed above and below the bulk transition temperatures; in particular, the relation of the surface phase transitions to the bulk ones is focused on.
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Murao, Tsuyoshi. "Phase transition at surface." Bulletin of the Japan Institute of Metals 25, no. 11 (1986): 906–13. http://dx.doi.org/10.2320/materia1962.25.906.

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Wanless, Erica J., Tim W. Davey, and William A. Ducker. "Surface Aggregate Phase Transition." Langmuir 13, no. 16 (August 1997): 4223–28. http://dx.doi.org/10.1021/la970146k.

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Ruan, Ting, Binjun Wang, Chun Xu, and Yunqiang Jiang. "Shear Deformation Helps Phase Transition in Pure Iron Thin Films with “Inactive” Surfaces: A Molecular Dynamics Study." Crystals 10, no. 10 (September 23, 2020): 855. http://dx.doi.org/10.3390/cryst10100855.

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In a previous study, it was shown that the (111)fcc, (110)fcc and (111)bcc free surfaces do not assist the phase transitions as nucleation sites upon heating/cooling in iron (Fe) thin slabs. In the present work, the three surfaces are denoted as “inactive” free surfaces. The phase transitions in Fe thin films with these “inactive” free surfaces have been studied using a classical molecular dynamics simulation and the Meyer–Entel potential. Our results show that shear deformation helps to activate the free surface as nucleation sites. The transition mechanisms are different in dependence on the surface orientation. In film with the (111)fcc free surface, two body-centered cubic (bcc) phases with different crystalline orientations nucleate at the free surface. In film with the (110)fcc surface, the nucleation sites are the intersections between the surfaces and stacking faults. In film with the (111)bcc surface, both heterogeneous nucleation at the free surface and homogeneous nucleation in the bulk material are observed. In addition, the transition pathways are analyzed. In all cases studied, the unstrained system is stable and no phase transition takes place. This work may be helpful to understand the mechanism of phase transition in nanoscale systems under external deformation.
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Semchuk, O. Yu, O. O. Havryliuk, and A. A. Biliuk. "Laser-induced phase transition and ablation on the surface of solids (Review)." Surface 10(25) (December 30, 2018): 62–117. http://dx.doi.org/10.15407/surface.2018.10.062.

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Bastiaansen, Paul J. M., and Hubert J. F. Knops. "Is surface melting a surface phase transition?" Journal of Chemical Physics 104, no. 10 (March 8, 1996): 3822–31. http://dx.doi.org/10.1063/1.471035.

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Khan, Sandip, and Jayant K. Singh. "Surface Phase Transition of Associating Fluids on Functionalized Surfaces." Journal of Physical Chemistry C 115, no. 36 (August 22, 2011): 17861–69. http://dx.doi.org/10.1021/jp204025e.

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Saberi, Abbas Ali. "Geometrical phase transition on WO3 surface." Applied Physics Letters 97, no. 15 (October 11, 2010): 154102. http://dx.doi.org/10.1063/1.3502568.

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Yan, Hong, David Kessler, and L. Sander. "Roughening phase transition in surface growth." Physical Review Letters 64, no. 8 (February 1990): 926–29. http://dx.doi.org/10.1103/physrevlett.64.926.

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Dissertations / Theses on the topic "Surface phase transition"

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Park, Hyunhang. "Spin Systems far from Equilibrium: Aging and Dynamic Phase Transition." Diss., Virginia Tech, 2013. http://hdl.handle.net/10919/19323.

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Among the many non-equilibrium processes encountered in nature we deal with two different but related aspects. One is the non-equilibrium relaxation process that is at the origin of \'aging phenomena••, and the other one is a non-equilibrium phase transition, called ••dynamic phase transition••. One of the main purposes of our research is to explore more realistic situations than studied previously. Indeed, in the study of aging phenomena certain kinds of disorder effects are considered, and we introduce the ••surface•• as a spatial boundary to the system undergoing the dynamic phase transition. In order to observe these processes as clearly as possible, we study in both cases simple spin systems. Using Monte Carlo simulations we first investigate aging in three-dimensional Ising spin glasses as well as in two-dimensional Ising models with disorder quenched to low temperatures. The time-dependent dynamical correlation length L(t) is determined numerically and the scaling behavior of various two-time quantities as a function of L(t)/L(s) is discussed where t and s are two different times. For disordered Ising models deviations of L(t) from algebraic growth law show up. The generalized scaling forms as a function of L(t)/L(s) reveal a generic simple aging scenario for Ising spin glasses as well as for disordered Ising ferromagnets. We also study the local critical phenomena at a dynamic phase transition by means of numerical simulations of kinetic Ising models with surfaces subjected to a periodic oscillating field. We examine layer-dependent quantities, such as the period-averaged magnetization per layer Q(z) and the layer susceptibility ¥ö(z), and determine local critical exponents through finite size scaling. Both for two and three dimensions, we find that the values of the surface exponents differ from those of the equilibrium critical surface. It is revealed that the surface phase diagram of the non-equilibrium system is not identical to that of the equilibrium system in three dimensions.
Ph. D.
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Maeda, Nobuo, and nobuo@engineering ucsb edu. "Phase Transitions of Long-Chain N-Alkanes at Interfaces." The Australian National University. Research School of Physical Sciences and Engineering, 2001. http://thesis.anu.edu.au./public/adt-ANU20011203.151921.

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An experimental study of phase transitions of long-chain n-alkanes induced by the effect of interfaces is described. ¶ The phase behaviour of long-chain n-alkanes (carbon number 14, 16, 17, 18) adsorbed at isolated mica surfaces and confined between two mica surfaces has been studied in the vicinity of and down to several degrees below the bulk melting points, Tm. Using the Surface Force Apparatus we have measured the thickness of alkane films adsorbed from vapour (0.97 [equal to or greater-than] p/p[subscript o] [equal to or greater-than] 0.997), studied capillary condensation transition, subsequent growth of capillary condensates between two surfaces, and phase transitions in both the adsorbed films and the condensates. By measuring the growth rate of the capillary condensates we have identified a transition in the lateral mobility of molecules in the adsorbed films on isolated mica surfaces. This transition to greater mobility occurs slightly above Tm for n-hexadecane, n-heptadecane and n-octadecane but several degrees below Tm for n-tetradecane, and is accompanied by a change in wetting behaviour and a measurable decrease in adsorbed film thickness for n-heptadecane and n-octadecane. Capillary condensates that form below Tm remain liquid, but may freeze if the degree of confinement is reduced by separation of the mica surfaces. An increase in the area of the liquid-vapour interface relative to that of the liquid-mica interface facilitates freezing in the case of the long-chain alkanes, which show surface freezing at the liquid-vapour interface. ¶ Although thermodynamic properties of the surface freezing transition have been rather well documented, the kinetics involved in formation of such ordered monolayers has so far received very little attention. We studied the surface tension of n-octadecane as a function of temperature in the vicinity of Tm, using the static Wilhelmy plate and the dynamic maximum bubble pressure methods. The two methods give different results on cooling paths, where nucleation of the surface ordered phase is involved, but agree on heating paths, where both methods measure properties of the equilibrium surface phase. On cooling paths, the surface of bubbles may supercool below the equilibrium surface freezing temperature. The onset of surface freezing is marked by a sharp drop in the surface tension. The transition is accompanied by an increased stability of the films resulting in longer bubble lifetimes at the liquid surface, which suggests that the mechanical properties of the surfaces change from liquid-like to solid-like. Our results suggest occurrence of supercooling of the monolayer itself.
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Cunha, Frederico. "A surface charge induced order-disorder phase transition in organic monolayers." FIU Digital Commons, 1995. http://digitalcommons.fiu.edu/etd/2690.

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Adenine and 2-2' bipyridine monolayer films adsorbed on Au (111) have been studied by Scanning Tunneling Microscopy (STM) in solution as a function of surface charge and bulk concentration. Both molecules form polymer chains. The length of the polymer chains increases as the concentration increases. At low charges they are randomly oriented, but they begin to align in parallel as the charge density reaches a critical value. The transition, which resembles the isotropic-nematic phase transition encountered in liquid-crystals, is fully reversible by lowering the charge below the critical value.
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Koyama, Akira. "Acceleration of Electrochemical Reactions in Confined Nanospaces Caused by Surface-Induced Phase Transition." 京都大学 (Kyoto University), 2017. http://hdl.handle.net/2433/225589.

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Hopkinson, Andrew. "A molecular beam study of the CO-induced surface phase transition on Pt{100}." Thesis, University of Cambridge, 1993. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.308382.

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Soleiman, Samira. "Contribution à l'étude de la transition de phase des greffes denses de longues chaînes grasses à la surface des silices." Lyon 1, 1993. http://www.theses.fr/1993LYO10133.

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Pour interpreter la transition de phase qui affecte les greffes denses alkyles a longues chaines sur les silices tres utilisees en chromatographie et modifient d'une facon parfois derangeante la reproductibilite de leurs proprietes de retention, nous avons prepare et etudie onze greffes nouvelles. Celles-ci sont caracterisees par des modifications variees de la greffe dimethyloctadecylsiloxy: presence de groupes polaires a l'extremite des chaines, de deux longues chaines alkyles sur le meme silicium, de radicaux ethyles ou cyanopropyles a la place des methyles, preparation de greffes en c#2#5 et c#3#0. La plupart des methodes d'etude des surfaces ne s'appliquent pas aux transitions de phase des couches monomoleculaires organiques chimisorbees sur des materiaux de faibles surfaces; l'etude est realisee par analyse calorimetrique differentielle et surtout par chromatographie en phase gazeuse inverse. Nous mettons en evidence une transition de phase plus ou moins nette avec la plupart des greffes synthetisees, tandis que la valeur des volumes de retention permet de caracteriser les surfaces. Des mesures ont ete faites egalement apres insertion de molecules grasses entre les chaines. Ces resultats et les resultats anterieurs sur les greffes alkyles nous ont amene a formuler l'hypothese vraisemblable, selon laquelle la transition resulterait du repli des chaines sur elles-memes a basse temperature pour constituer une phase solide a 0,21 nm#2 d'aire moleculaire et du depliage partiel des chaines a plus haute temperature pour former une phase a 0,28 nm#2. Ces resultats sont confirmes par l'examen de couches physisorbees localisees d'alcools gras considerees comme des analogues des greffes. La structure des couches est egalement confirmee par une attaque chimique (hcl) appliquee a des films d'une diolefine. L'experience pourrait ouvrir la voie a quelques applications en chimie organique
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Horstmann, Jan Gerrit [Verfasser]. "Ultrafast Probing and Coherent Vibrational Control of a Surface Structural Phase Transition / Jan Gerrit Horstmann." Göttingen : Niedersächsische Staats- und Universitätsbibliothek Göttingen, 2021. http://nbn-resolving.de/urn:nbn:de:gbv:7-21.11130/00-1735-0000-0008-58F2-4-3.

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Patra, Abhirup. "Surface properties, adsorption, and phase transitions with a dispersion-corrected density functional." Diss., Temple University Libraries, 2018. http://cdm16002.contentdm.oclc.org/cdm/ref/collection/p245801coll10/id/516784.

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Physics
Ph.D.
Understanding the “incomprehensible” world of materials is the biggest challenge to the materials science community. To access the properties of the materials and to utilize them for positive changes in the world are of great interest. Often scientists use approximate theories to get legitimate answers to the problems. Density functional theory (DFT) has emerged as one of the successful and powerful predictive methods in this regard. The accuracy of DFT relies on the approximate form of the exchange-correlation (EXC) functional. The most complicated form of this functional can be as accurate as more complicated and computationally robust method like Quantum Monte Carlo (QMC), Random Phase Approximation (RPA). Two newest meta-GGAs, SCAN and SCAN+rVV10 are among those functionals. Instantaneous charge fluctuation between any two objects gives rise to the van der Waals (vdW) interactions (often termed as dispersion interactions). It is a purely correlation effect of the interacting electrons and thus non-local in nature. Despite its small magnitude it plays a very important role in many systems such as weakly bound rare-gas dimers, molecular crystals, and molecule-surface interaction. The traditional semi-local functionals can not describe the non-local of vdW interactions; only short- and intermediate-range of the vdW are accounted for in these functionals. In this thesis we investigate the effect of the weak vdW interactions in surface properties, rare-gas dimers and how it can be captured seamlessly within the semi-local density functional approximation. We have used summed-up vdW series within the spherical-shell approximation to develop a new vdW correction to the meta-GGA-MS2 functional. This method has been utilized to calculate binding energy and equilibrium binding distance of different homo- and hetero-dimers and we found that this method systematically improves the MGGA-MS2 results with a very good agreement with the experimental data. The binding energy curves are plotted using this MGGA-MS2, MGGA-MS2-vdW and two other popular vdW-corrected functionals PBE-D2, vdW-DF2. From these plots it is clear that our summed-up vdW series captures the long-range part of the binding energy curve via C6, C8, and, C10 coefficients. The clean metallic surface properties such as surface energy, work functions are important and often play a crucial role in many catalytic reactions. The weak dispersion interactions present between the surfaces has significant effect on these properties. We used LDA, PBE, PBSEsol, SCAN and SCAN+rVV10 to compute the clean metallic surface properties. The SCAN+rVV10 seamlessly captures different ranges of the vdW interactions at the surface and predicts very accurate values of surface energy ( ) , and work function (𝞥) and inter-layer relaxations (𝞭%). Our conclusion is adding non-local vdW correction to a good semi-local density functional such as SCAN is necessary in order to predict the weak attractive vdW forces at the metallic surface. The SCAN+rVV10 has also been employed to study the hydrogen evolution reaction (HER) on 1T-MoS2. We have chosen as a descriptor differential Gibbs free energy (𝚫 GH ) to understand the underlying mechanism of this catalytic reaction. Density functional theory calculations agree with the experimental findings. In the case of layered materials like 1T-MoS2, vdW interactions play an important role in hydrogen binding, that SCAN+rVV10 calculation was able to describe precisely. We have also used SCAN and SCAN+rVV10 functionals to understand bonding of CO on (111) metal surfaces, where many approximations to DFT fail to predict correct adsorption site and adsorption energy. In this case SCAN and SCAN+rVV10 do not show systematic improvements compared to LDA or PBE, rather, both SCAN and SCAN+rVV10 overbind CO more compared to PBE but less compared to the LDA. This overbinding of CO is associated with the incorrect charge transfer from metal to molecule and presumably comes from the density-driven self-interaction error of the functionals. In this thesis we assessed different semi-local functionals to investigate molecule surface systems of 𝞹-conjugated molecules (thiophene, pyridine) adsorbed on Cu(111), Cu(110), Cu(100) surfaces. We find the binding mechanism of these molecules on the metallic surface is mediated by short and intermediate range vdW interactions. Calculated values of binding energies and adsorbed geometries imply that this kind of adsorption falls in the weak chemisorption regime. Structural phase transitions due to applied pressure are very important in materials science. However, pressure induced structural phase transition in early lanthanide elements such as Ce are considered as abnormal first order phase transition. The Ce 𝝰-to-𝝲 isostructural phase transition is one of them. The volume collapse and change of magnetic properties associated with this transition are mediated by the localized f-electron. Semi-local density functionals like LDA, GGA delocalize this f-electron due to the inherent self-interaction error (SIE) of these functionals. We have tested the SCAN functional for this particular problem, and, it was found that the spin-orbit coupling calculations with SCAN not only predicts the correct magnetic ordering of the two phases, but also gives a correct minima for the high-pressure 𝝰-Ce phase and a shoulder for the low-pressure 𝝲-Ce phase.
Temple University--Theses
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Asiaee, Sahneh Sharareh Alsadat [Verfasser]. "Phase Transition Behavior and Application of Novel Surface-attached Thermo-responsive Polymer Films / Sharareh Alsadat Asiaee Sahneh." München : Verlag Dr. Hut, 2016. http://d-nb.info/1122524374/34.

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Koda, Ryo. "Electrochemical deposition of metal on microporous silicon electrodes influenced by hydration structures of solutes and electrode surfaces." 京都大学 (Kyoto University), 2015. http://hdl.handle.net/2433/199323.

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Books on the topic "Surface phase transition"

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NATO Advanced Study Institute and International Course on Phase Transitions in Surface Films (1990 Erice, Italy). Phase transitions in surface films 2. New York: Plenum Press, 1991.

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Taub, H. Phase Transitions in Surface Films 2. Boston, MA: Springer US, 1991.

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Taub, H., G. Torzo, H. J. Lauter, and S. C. Fain, eds. Phase Transitions in Surface Films 2. Boston, MA: Springer US, 1991. http://dx.doi.org/10.1007/978-1-4684-5970-8.

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Riste, Tormod. Phase Transitions in Soft Condensed Matter. Boston, MA: Springer US, 1990.

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Riste, Tormod. Phase Transitions and Relaxation in Systems with Competing Energy Scales. Dordrecht: Springer Netherlands, 1993.

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Thermomechanics of phase transitions in classical field theory. Singapore: World Scientific, 1993.

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Born, Philip G. Crystallization of Nanoscaled Colloids. Heidelberg: Springer International Publishing, 2013.

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service), SpringerLink (Online, ed. Liquid Crystal Elastomers: Materials and Applications. Berlin, Heidelberg: Springer Berlin Heidelberg, 2012.

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A, Patkós, Fermi National Accelerator Laboratory, and United States. National Aeronautics and Space Administration., eds. Surface energy from order parameter profile at the QCD phase transition. Batavia, IL: Fermi National Accelerator Laboratory, 1989.

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Henriksen, Niels Engholm, and Flemming Yssing Hansen. Static Solvent Effects, Transition-State Theory. Oxford University Press, 2018. http://dx.doi.org/10.1093/oso/9780198805014.003.0010.

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This chapter discusses static solvent effects on the rate constant for chemical reactions in solution. It starts with a brief discussion of the thermodynamic formulation of transition-state theory. The static equilibrium structure of the solvent will modify the potential energy surface for the chemical reaction. This effect is analyzed within the framework of transition-state theory. The rate constant is expressed in terms of the potential of mean force at the activated complex. Various definitions of this potential and their relations to n-particle- and pair-distribution functions are considered. The potential of mean force may, for example, be defined such that the gradient of the potential gives the average force on an atom in the activated complex, Boltzmann averaged over all configurations of the solvent. It concludes with a discussion of a relation between the rate constants in the gas phase and in solution.
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Book chapters on the topic "Surface phase transition"

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Gerasimov, Denis N., and Eugeny I. Yurin. "“Liquid–Vapor” Phase Transition." In Springer Series in Surface Sciences, 1–30. Cham: Springer International Publishing, 2018. http://dx.doi.org/10.1007/978-3-319-96304-4_1.

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Sigov, A. S. "Phase Transition Anomalies in Crystals with Defects." In Defects and Surface-Induced Effects in Advanced Perovskites, 355–66. Dordrecht: Springer Netherlands, 2000. http://dx.doi.org/10.1007/978-94-011-4030-0_35.

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Terakura, K., and N. Hamada. "Structural Phase Transition on the W(001) Surface." In Ordering at Surfaces and Interfaces, 159–67. Berlin, Heidelberg: Springer Berlin Heidelberg, 1992. http://dx.doi.org/10.1007/978-3-642-84482-9_19.

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Wang, C. Z., A. Fasolino, and E. Tosatti. "Simulation Studies of Structure and Vibrations of Clean Transition Metal (001) Surfaces Across the Reconstruction Phase Transition." In Solvay Conference on Surface Science, 304–9. Berlin, Heidelberg: Springer Berlin Heidelberg, 1988. http://dx.doi.org/10.1007/978-3-642-74218-7_26.

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Inoue, K., Y. Morikawa, K. Terakura, and M. Nakayama. "Order-Disorder Phase Transition on the Si(001) Surface." In Springer Series in Solid-State Sciences, 77–87. Berlin, Heidelberg: Springer Berlin Heidelberg, 1993. http://dx.doi.org/10.1007/978-3-642-84968-8_9.

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Wang, Biao. "Size and Surface Effects of Phase Transition on Nanoferroelectric Materials." In Advanced Topics in Science and Technology in China, 179–268. Berlin, Heidelberg: Springer Berlin Heidelberg, 2013. http://dx.doi.org/10.1007/978-3-642-33596-9_5.

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Medvid, Arthur, Pavels Onufrijevs, Dainis Grabovskis, Aleksandrs Mychko, Valentinas Snitka, Petr M. Lytvyn, and Valentina Plaushinaitiene. "Phase Transition on Surface of IV Group Semiconductors by Laser Radiation." In Solid State Phenomena, 345–50. Stafa: Trans Tech Publications Ltd., 2005. http://dx.doi.org/10.4028/3-908451-13-2.345.

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Qin, Lang, and Yanlei Yu. "Light-responsive Surface: Photodeformable Cross-linked Liquid-Crystalline Polymers Based on Photochemical Phase Transition." In Responsive Polymer Surfaces, 1–34. Weinheim, Germany: Wiley-VCH Verlag GmbH & Co. KGaA, 2017. http://dx.doi.org/10.1002/9783527690534.ch1.

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Sawada, S. "Molecular-Dynamics Simulation of the Structural Phase Transition on the Si(100) Surface." In Ordering at Surfaces and Interfaces, 129–36. Berlin, Heidelberg: Springer Berlin Heidelberg, 1992. http://dx.doi.org/10.1007/978-3-642-84482-9_15.

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Kakitani, K., and A. Yoshimori. "Short Range Order in the Phase Transition of the Si(100) Surface Reconstruction." In Ordering at Surfaces and Interfaces, 137–43. Berlin, Heidelberg: Springer Berlin Heidelberg, 1992. http://dx.doi.org/10.1007/978-3-642-84482-9_16.

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Conference papers on the topic "Surface phase transition"

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Horn von Hoegen, Michael. "Optically excited structural transition in atomic wires on surfaces at the quantum limit: a femtosecond ultrafast surface electron diffraction study." In Advances in Ultrafast Condensed Phase Physics, edited by Eleftherios Goulielmakis, Thomas Brabec, and Martin Schultze. SPIE, 2018. http://dx.doi.org/10.1117/12.2312239.

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Crnkic, Edin, Lijuan He, and Yan Wang. "Loci Surface Guided Crystal Phase Transition Pathway Search." In ASME 2011 International Design Engineering Technical Conferences and Computers and Information in Engineering Conference. ASMEDC, 2011. http://dx.doi.org/10.1115/detc2011-47750.

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Recently a periodic surface model was developed to assist geometric construction in computer-aided nano-design. This implicit surface model helps create super-porous nano structures parametrically and support crystal packing. In this paper, we propose a new approach for pathway search in phase transition simulation of crystal structures. The approach relies on the interpolation of periodic loci surface models. Respective periodic plane models are reconstructed from the positions of individual atoms at the initial and final states, and surface correspondence are found. With geometric constraints imposed based on physical and chemical properties of crystals, two surface interpolation methods are used to approximate the intermediate atom positions on the transition pathway in the full search of the minimum energy path. This hybrid approach integrates geometry information in configuration space and physics information to allow for efficient transition pathway search. The methods are demonstrated by examples of FeTi and VO2.
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Naterer, G., and G. Schneider. "Shrinkage-induced free surface flows with phase transition." In 6th Joint Thermophysics and Heat Transfer Conference. Reston, Virigina: American Institute of Aeronautics and Astronautics, 1994. http://dx.doi.org/10.2514/6.1994-1994.

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Mintz, Rafail I., and Dmitri B. Berg. "Liquid crystal (LC)--nonmesogenous crystal moving-interface as the LC phase transition inducing factor." In International Liquid Crystal Workshop: Surface Phenomena, edited by Evgenij Rumtsev and Maxim G. Tomilin. SPIE, 1996. http://dx.doi.org/10.1117/12.230640.

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Lasrado, Vernet, Devendra Alhat, and Yan Wang. "A Review of Recent Phase Transition Simulation Methods: Transition Path Search." In ASME 2008 International Design Engineering Technical Conferences and Computers and Information in Engineering Conference. ASMEDC, 2008. http://dx.doi.org/10.1115/detc2008-49410.

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In this paper, we give a review of recent transition path search methods for nanoscale phase transition simulation A potential energy surface (PES) characterizes detailed information about phase transitions where the transition path is related to a minimum energy path on the PES. The minimum energy path connects reactant to product via saddle point(s) on the PES. Once the minimum energy path is generated, the activation energy required for transitions can be determined. Using transition state theory, one can estimate the rate constant of the transition. The rate constant is critical to accurately simulate the transition process with sampling algorithms such as kinetic Monte Carlo.
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Nuster, R., H. Krenn, and G. Paltauf. "Magnetic phase transition in gadolinium monitored by surface acoustic waves." In International Congress on Ultrasonics. Vienna University of Technology, 2007. http://dx.doi.org/10.3728/icultrasonics.2007.vienna.1651_nuster.

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Fattakhov, Yakh'ya V., Mansur F. Galyautdinov, Tat'yana N. L'vova, and Il'dus B. Khaibullin. "Phase transition dynamics on semiconductor surface at light pulse irradiation." In 24th International Congress on High-Speed Photography and Photonics, edited by Kazuyoshi Takayama, Tsutomo Saito, Harald Kleine, and Eugene V. Timofeev. SPIE, 2001. http://dx.doi.org/10.1117/12.424321.

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Horstmann, Jan Gerrit, Hannes Böckmann, Bareld Wit, Felix Kurtz, Gero Storeck, and Claus Ropers. "Exerting Coherent Control over a Surface Structural Phase Transition via Amplitude Modes." In International Conference on Ultrafast Phenomena. Washington, D.C.: OSA, 2020. http://dx.doi.org/10.1364/up.2020.tu3b.1.

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Alhat, Devendra, Vernet Lasrado, and Yan Wang. "A Review of Recent Phase Transition Simulation Methods: Saddle Point Search." In ASME 2008 International Design Engineering Technical Conferences and Computers and Information in Engineering Conference. ASMEDC, 2008. http://dx.doi.org/10.1115/detc2008-49411.

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A review of saddle point search methods on a potential energy surface is presented in this paper. Finding saddle points on a complex potential energy surface is the major challenge in modeling and simulating the kinetics of first-order phase transitions. Once the saddle points have been identified and the activation energy for the transition is known, one can apply the kinetic Monte Carlo method to simulate the transition process. We consider some factors while reviewing the methods, such as whether the solution is global, the knowledge of the Hessian during the search, the capability to locate multiple saddle points and higher order saddle points, the kind of approximations used for potential energy surface, if any; and the convergence of the methods.
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Qi, Cheng, and Yan Wang. "Metamorphosis of Periodic Surface Models." In ASME 2009 International Design Engineering Technical Conferences and Computers and Information in Engineering Conference. ASMEDC, 2009. http://dx.doi.org/10.1115/detc2009-87101.

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A phase transition is a geometric and topological transformation process of materials from one phase to another, each of which has a unique and homogeneous physical property. Providing an initial guess of transition path for further physical simulation studies is highly desirable in materials design. In this paper, we present a metamorphosis scheme for periodic surface (PS) models by interpolation in the PS parameter space. The proposed approach creates multiple potential transition paths for further selection based on three smoothness criteria. The goal is to search for a smooth transformation in phase transition analysis.
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Reports on the topic "Surface phase transition"

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Tober, E. D., F. J. Palomares, R. X. Ynzunza, Z. Wang, Z. Hussain, and C. S. Fadley. First observation of a ferromagnetic-to-paramagnetic phase transition on a ferromagnetic surface using spin-polarized photoelectron diffraction. Office of Scientific and Technical Information (OSTI), April 1997. http://dx.doi.org/10.2172/603659.

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Smith, Jijo K., Howell Li, and Darcy M. Bullock. Populating SAE J2735 Message Confidence Values for Traffic Signal Transitions Along a Signalized Corridor. Purdue University, 2019. http://dx.doi.org/10.5703/1288284317322.

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The communication between connected vehicles and traffic signal controllers is defined in SAE Surface Vehicle Standard J2735. SAE J2735 defines traffic signal status messages and a series of 16 confidence levels for traffic signal transitions. This paper discusses a statistical method for tabulating traffic signal data by phase and time of day and populating the SAE J2735 messages. Graphical representation of the red-green and green-yellow transitions are presented from six intersections along a 4-mile corridor for five different time of day timing plans. The case study provided illustrates the importance of characterizing the stochastic variation of traffic signals to understand locations, phases, and time of day when traffic indications operate with high predictability, and periods when there are large variations in traffic signal change times. Specific cases, such as low vehicle demand and occasional actuation of pedestrian phases are highlighted as situations that may reduce the predictability of traffic signal change intervals. The results from this study also opens up discussion among transportation professionals on the importance of consistent tabulation of confidence values for both beginning and end of green signal states. We believe this paper will initiate dialog on how to consistently tabulate important data elements transmitted in SAE J2735 and perhaps refine those definitions. The paper concludes by highlighting the importance of traffic engineers and connected vehicle developers to work together to develop shared visions on traffic signal change characteristics so that the in-vehicle use cases and human-machine interface (HMI) meet user expectations.
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