Müller, Marcus

[["dc.bibliographiccitation.firstpage","168"],["dc.bibliographiccitation.issue","3"],["dc.bibliographiccitation.journal","ACS Nano"],["dc.bibliographiccitation.lastpage","175"],["dc.bibliographiccitation.volume","1"],["dc.contributor.author","Stoykovich, Mark P."],["dc.contributor.author","Kang, Huiman"],["dc.contributor.author","Daoulas, Kostas Ch."],["dc.contributor.author","Liu, Guoliang"],["dc.contributor.author","Liu, Chi-Chun"],["dc.contributor.author","de Pablo, Juan J."],["dc.contributor.author","Mueller, Marcus"],["dc.contributor.author","Nealey, Paul F."],["dc.date.accessioned","2018-11-07T10:57:51Z"],["dc.date.available","2018-11-07T10:57:51Z"],["dc.date.issued","2007"],["dc.description.abstract","Self-assembling block copolymers are of interest for nanomanufacturing due to the ability to realize sub-100 nm dimensions, thermodynamic control over the size and uniformity and density of features, and inexpensive processing. The insertion point of these materials in the production of integrated circuits, however, is often conceptualized in the short term for niche applications using the dense periodic arrays of spots or lines that characterize bulk block copolymer morphologies, or in the long term for device layouts completely redesigned into periodic arrays. Here we show that the domain structure of block copolymers in thin films can be directed to assemble into nearly the complete set of essential dense and isolated patterns as currently defined by the semiconductor industry. These results suggest that block copolymer materials, with their intrinsically advantageous self-assembling properties, may be amenable for broad application in advanced lithography, including device layouts used in existing nanomanufacturing processes."],["dc.identifier.doi","10.1021/nn700164p"],["dc.identifier.isi","000252145100006"],["dc.identifier.pmid","19206647"],["dc.identifier.uri","https://resolver.sub.uni-goettingen.de/purl?gro-2/50347"],["dc.notes.status","zu prüfen"],["dc.notes.submitter","Najko"],["dc.publisher","Amer Chemical Soc"],["dc.relation.issn","1936-0851"],["dc.title","Directed self-assembly of block copolymers for nanolithography: Fabrication of isolated features and essential integrated circuit geometries"],["dc.type","journal_article"],["dc.type.internalPublication","yes"],["dc.type.peerReviewed","yes"],["dc.type.status","published"],["dspace.entity.type","Publication"]]

[["dc.bibliographiccitation.firstpage","2334"],["dc.bibliographiccitation.issue","5"],["dc.bibliographiccitation.journal","Macromolecules"],["dc.bibliographiccitation.lastpage","2342"],["dc.bibliographiccitation.volume","43"],["dc.contributor.author","Stoykovich, Mark P."],["dc.contributor.author","Daoulas, Kostas Ch."],["dc.contributor.author","Mueller, Marcus"],["dc.contributor.author","Kang, Huiman"],["dc.contributor.author","de Pablo, Juan J."],["dc.contributor.author","Nealey, Paul F."],["dc.date.accessioned","2018-11-07T08:45:06Z"],["dc.date.available","2018-11-07T08:45:06Z"],["dc.date.issued","2010"],["dc.description.abstract","Block copolymer Structures have been directed to assemble oil chemically patterned surfaces with the domain interfaces oriented perpendicular to the substrate. Such methods have been pursued for lithographic applications to achieve long-range order in the assembled structures and, potentially more important, provide nanometer-level control over the interfaces between Structures. The chemically striped surfaces used for the directed assembly of lamellae are patterned by top-down lithographic techniques and thus often have rough edges between the regions of different chemistry. Here we quantitatively characterize, using experiments and molecular-level simulations, the propagation of line edge roughness from the chemically patterned surfaces into the interfaces between domains of block copolymer lamellae as a function of the wavelength, amplitude, and geometry of the roughness. Two geometries of surface pattern roughness are considered with oscillatory neighboring interfaces that are either in-phase or out-of-phase. Block copolymer lamellae of poly(styrene-b/ock-methyl methacrylate) effectively self-corrected surface patterns with small wavelength in-phase and out-of-phase roughness such that little or no memory of the Substrate pattern roughness could be observed at the top surface of a 40 nm thin film. Larger wavelength in-phase roughness, and to a lesser extent larger wavelength out-of-phase roughness, propagated farther from the surface pattern such that the domain interfaces between block copolymer lamellae maintained the roughness throughout the film. These self-healing capabilities of block copolymers will be essential for lithographic applications with tight tolerances on line edge roughness and line width control, e.g., in patterning transistor gates."],["dc.identifier.doi","10.1021/ma902494v"],["dc.identifier.isi","000274928400032"],["dc.identifier.uri","https://resolver.sub.uni-goettingen.de/purl?gro-2/20353"],["dc.notes.status","zu prüfen"],["dc.notes.submitter","Najko"],["dc.publisher","Amer Chemical Soc"],["dc.relation.issn","0024-9297"],["dc.title","Remediation of Line Edge Roughness in Chemical Nanopatterns by the Directed Assembly of Overlying Block Copolymer Films"],["dc.type","journal_article"],["dc.type.internalPublication","yes"],["dc.type.peerReviewed","yes"],["dc.type.status","published"],["dspace.entity.type","Publication"]]

[["dc.bibliographiccitation.artnumber","014903"],["dc.bibliographiccitation.issue","1"],["dc.bibliographiccitation.journal","The Journal of Chemical Physics"],["dc.bibliographiccitation.volume","146"],["dc.contributor.author","Ramirez-Hernandez, Abelardo"],["dc.contributor.author","Peters, Brandon L."],["dc.contributor.author","Schneider, Ludwig"],["dc.contributor.author","Andreev, Marat"],["dc.contributor.author","Schieber, Jay D."],["dc.contributor.author","Mueller, Marcus"],["dc.contributor.author","de Pablo, Juan J."],["dc.date.accessioned","2018-11-07T10:28:28Z"],["dc.date.available","2018-11-07T10:28:28Z"],["dc.date.issued","2017"],["dc.description.abstract","Coarse grained simulation approaches provide powerful tools for the prediction of the equilibrium properties of polymeric systems. Recent efforts have sought to develop coarse-graining strategies capable of predicting the non-equilibrium behavior of entangled polymeric materials. Slip-link and slip-spring models, in particular, have been shown to be capable of reproducing several key aspects of the linear response and rheology of polymer melts. In this work, we extend a previously proposed multi-chain slip-spring model in a way that correctly incorporates the effects of the fluctuating environment in which polymer segments are immersed. The model is used to obtain the equation of state associated with the slip-springs, and the results are compared to those of related numerical approaches and an approximate analytical expression. The model is also used to examine a polymer melt confined into a thin film, where an inhomogeneous distribution of polymer segments is observed, and the corresponding inhomogeneities associated with density fluctuations are reflected on the spatial slip-spring distribution."],["dc.identifier.doi","10.1063/1.4972582"],["dc.identifier.isi","000393431000033"],["dc.identifier.pmid","28063448"],["dc.identifier.uri","https://resolver.sub.uni-goettingen.de/purl?gro-2/43425"],["dc.notes.status","zu prüfen"],["dc.notes.submitter","PUB_WoS_Import"],["dc.publisher","Amer Inst Physics"],["dc.relation.issn","1089-7690"],["dc.relation.issn","0021-9606"],["dc.title","A multi-chain polymer slip-spring model with fluctuating number of entanglements: Density fluctuations, confinement, and phase separation"],["dc.type","journal_article"],["dc.type.internalPublication","yes"],["dc.type.peerReviewed","yes"],["dc.type.status","published"],["dspace.entity.type","Publication"]]

[["dc.bibliographiccitation.firstpage","418"],["dc.bibliographiccitation.issue","3"],["dc.bibliographiccitation.journal","ACS Macro Letters"],["dc.bibliographiccitation.lastpage","422"],["dc.bibliographiccitation.volume","1"],["dc.contributor.author","Nagpal, Umang"],["dc.contributor.author","Mueller, Marcus"],["dc.contributor.author","Nealey, Paul F."],["dc.contributor.author","de Pablo, Juan J."],["dc.date.accessioned","2018-11-07T09:12:43Z"],["dc.date.available","2018-11-07T09:12:43Z"],["dc.date.issued","2012"],["dc.description.abstract","We investigate commonly occurring defects in block copolymer thin films asembled on chemically nanopatterned substrates. and predict their probability of occurence by computing their free energies. A theoretically informed 3D coarse. grain model is used to describe the system. These defects substrate increases and when partial defects occur close to the top surface of the flim. The results presented defects. here reveal an extraordinarily large thermodynamic driving force for the elimination of defects. When the characteristics of the substrate are commensurate with the morphology of the block copolymer, the probability of creating a defect is extremely small and well below the specifications of the semiconductor industry for fabrication of features having characteristic dimensions on the scale of nanometers. We also investigate how the occurrence of defect change's when imperfections arise in the underlysing patterns and find that, while defects continue to be remarkably unstable, stretched patterns are more permissive than compressed patterns."],["dc.identifier.doi","10.1021/mz200245s"],["dc.identifier.isi","000301969600018"],["dc.identifier.uri","https://resolver.sub.uni-goettingen.de/purl?gro-2/27007"],["dc.notes.status","zu prüfen"],["dc.notes.submitter","Najko"],["dc.publisher","Amer Chemical Soc"],["dc.relation.issn","2161-1653"],["dc.title","Free Energy of Defects in Ordered Assemblies of Block Copolymer Domains"],["dc.type","journal_article"],["dc.type.internalPublication","yes"],["dc.type.peerReviewed","yes"],["dc.type.status","published"],["dspace.entity.type","Publication"]]

[["dc.bibliographiccitation.firstpage","1284"],["dc.bibliographiccitation.issue","4"],["dc.bibliographiccitation.journal","Langmuir"],["dc.bibliographiccitation.lastpage","1295"],["dc.bibliographiccitation.volume","24"],["dc.contributor.author","Daoulas, Kostas Ch."],["dc.contributor.author","Mueller, Marcus"],["dc.contributor.author","Stoykovich, Mark P."],["dc.contributor.author","Kang, Huiman"],["dc.contributor.author","de Pablo, Juan J."],["dc.contributor.author","Nealey, Paul F."],["dc.date.accessioned","2018-11-07T11:18:16Z"],["dc.date.available","2018-11-07T11:18:16Z"],["dc.date.issued","2008"],["dc.description.abstract","The directed assembly of lamella-forming copolymer systems on substrates chemically patterned with rough stripes has been studied using a Helfrich-type, phenomenological theory and Single-Chain-in-Mean-Field (SCMF) simulations. The stripe period matches that of the lamellar spacing in the bulk. The effect of the line edge roughness (LER) of the substrate pattern on the microphase-separated morphology was investigated considering two generic types of substrate LER with a single characteristic wavelength imposed on the edges of the stripes: undulation and peristaltic LER. In both cases, the domain interfaces are pinned to the rough stripe boundary at the substrate and, thus, are deformed. We study how this deformation decays as a function of the distance from the substrate. The simple theory and the SCMF simulations demonstrate that one of the basic factors determining the decay of the roughness transferred into the self-assembled morphology is the characteristic LER wavelength of the substrate pattern; i.e., the distance over which the roughness propagates away from the substrate increases with wavelength. However, both approaches reveal that, for a quantitative understanding of the consequences of substrate LER, it is important to consider the interplay of the pattern wavelength with the other characteristic length scales of the system, such as the film thickness and the bulk lamellar spacing. For instance, in thin films, the induced deformation of the lamellar interface decays slower with distance from the patterned surface than in thicker films. It is shown that the phenomenological theory can capture many of the same qualitative results as the SCMF simulations for copolymer assembly on substrate patterns with LER, but, at the same time, is limited by an incomplete description of the constraints on the polymer chain conformations imposed by the substrate."],["dc.identifier.doi","10.1021/la702482z"],["dc.identifier.isi","000253130900022"],["dc.identifier.pmid","18067336"],["dc.identifier.uri","https://resolver.sub.uni-goettingen.de/purl?gro-2/54999"],["dc.notes.status","zu prüfen"],["dc.notes.submitter","Najko"],["dc.publisher","Amer Chemical Soc"],["dc.relation.issn","0743-7463"],["dc.title","Directed copolymer assembly on chemical substrate patterns: A phenomenological and single-chain-in-mean-field simulations study of the influence of roughness in the substrate pattern"],["dc.type","journal_article"],["dc.type.internalPublication","yes"],["dc.type.peerReviewed","yes"],["dc.type.status","published"],["dspace.entity.type","Publication"]]

[["dc.bibliographiccitation.firstpage","111"],["dc.bibliographiccitation.journal","Faraday Discussions"],["dc.bibliographiccitation.lastpage","125"],["dc.bibliographiccitation.volume","144"],["dc.contributor.author","Detcheverry, Francois A."],["dc.contributor.author","Pike, Darin Q."],["dc.contributor.author","Nealey, Paul F."],["dc.contributor.author","Mueller, Marcus"],["dc.contributor.author","de Pablo, Juan J."],["dc.date.accessioned","2018-11-07T08:47:40Z"],["dc.date.available","2018-11-07T08:47:40Z"],["dc.date.issued","2010"],["dc.description.abstract","Simulations of theoretically informed coarse grain models, where the interaction energy is given by a functional of the local density, are discussed in the context of polymeric melts. Two different implementations are presented by addressing two examples. The first relies on a grid-based representation of non-bonded interactions and focuses on the concept of density multiplication in block copolymer lithography. Monte Carlo simulations are used in a high-throughput manner to explore the parameter space, and to identify morphologies amenable to lithographic fabrication. In the second example, which focuses on the order disorder transition of block copolymers, the constraints imposed by a grid are removed, thereby enabling simulations in arbitrary ensembles and direct calculation of local stresses and free energies."],["dc.identifier.doi","10.1039/b902283j"],["dc.identifier.isi","000271017100007"],["dc.identifier.pmid","20158025"],["dc.identifier.uri","https://resolver.sub.uni-goettingen.de/purl?gro-2/21011"],["dc.notes.status","zu prüfen"],["dc.notes.submitter","Najko"],["dc.publisher","Royal Soc Chemistry"],["dc.relation.issn","1364-5498"],["dc.title","Simulations of theoretically informed coarse grain models of polymeric systems"],["dc.type","journal_article"],["dc.type.internalPublication","yes"],["dc.type.peerReviewed","yes"],["dc.type.status","published"],["dspace.entity.type","Publication"]]

[["dc.bibliographiccitation.firstpage","90"],["dc.bibliographiccitation.issue","1"],["dc.bibliographiccitation.journal","Macromolecules"],["dc.bibliographiccitation.lastpage","96"],["dc.bibliographiccitation.volume","40"],["dc.contributor.author","Edwards, Erik W."],["dc.contributor.author","Mueller, Marcus"],["dc.contributor.author","Stoykovich, Mark P."],["dc.contributor.author","Solak, Harun H."],["dc.contributor.author","de Pablo, Juan J."],["dc.contributor.author","Nealey, Paul F."],["dc.date.accessioned","2018-11-07T11:05:45Z"],["dc.date.available","2018-11-07T11:05:45Z"],["dc.date.issued","2007"],["dc.description.abstract","Thin films of a nearly symmetric lamellae-forming diblock copolymer of poly(styrene-b-methyl methacrylate) (PS-b-PMMA) having a bulk repeat period, L-O, were directed to assemble vertically away from chemically nanopatterned striped substrates (having a periodicity L-S) that consisted of alternating stripes that were preferentially wet by the two blocks of the copolymer. The relative widths of the adjacent stripes were systematically varied such that the normalized line width of the chemical surface pattern, defined as the width of the stripe that was wet by the styrene block of the block copolymer, W, divided by the constant chemical surface pattern period, L-s had values between 0.30 and 0.65. On chemical surface patterns with L-S approximate to L-O the diblock copolymer domains formed defect-free perpendicular arrays if the normalized line width W/L-S, was between 0.36 and 0.63. On chemical surface patterns with L-S not equal L-O, the range of W/L-S capable of inducing defect free arrays decreased as the difference between L-S and L-O increased. Single-chain-in-mean-field (SCMF) simulations provided information on the dimensions and shapes of the block copolymer domains. The SCMF simulations indicated that the widths of the lamellae at half film thickness were 0.47L(S) independent of W/L-S and the angle of the interface between the vertically oriented domains remained within 11 degrees of the substrate normal over the range of experimentally relevant values of W/L-S."],["dc.identifier.doi","10.1021/ma0607564"],["dc.identifier.isi","000243156700014"],["dc.identifier.uri","https://resolver.sub.uni-goettingen.de/purl?gro-2/52134"],["dc.notes.status","zu prüfen"],["dc.notes.submitter","Najko"],["dc.publisher","Amer Chemical Soc"],["dc.relation.issn","0024-9297"],["dc.title","Dimensions and shapes of block copolymer domains assembled on lithographically defined chemically patterned substrates"],["dc.type","journal_article"],["dc.type.internalPublication","yes"],["dc.type.peerReviewed","yes"],["dc.type.status","published"],["dspace.entity.type","Publication"]]

[["dc.bibliographiccitation.firstpage","4989"],["dc.bibliographiccitation.issue","13"],["dc.bibliographiccitation.journal","Macromolecules"],["dc.bibliographiccitation.lastpage","5001"],["dc.bibliographiccitation.volume","41"],["dc.contributor.author","Detcheverry, Francois A."],["dc.contributor.author","Kang, Huiman"],["dc.contributor.author","Daoulas, Kostas Ch."],["dc.contributor.author","Mueller, Marcus"],["dc.contributor.author","Nealey, Paul F."],["dc.contributor.author","de Pablo, Juan J."],["dc.date.accessioned","2018-11-07T11:13:02Z"],["dc.date.available","2018-11-07T11:13:02Z"],["dc.date.issued","2008"],["dc.description.abstract","A coarse grain model and a Monte Carlo sampling formalism are proposed for simulations of self-assembly in block copolymer melts and nanoparticle-copolymer composites. Our approach relies on a particle-based representation of the system, it does not invoke a saddle point approximation, and it permits treatment of large three-dimensional systems. We provide a detailed description of the model and methods and discuss their relationship to results from self-consistent-field theory and single chain in mean field simulations. The validity of the proposed approach is addressed by applying it to study systems whose description within existing approaches would be demanding. In particular, we use it to examine the directed assembly of copolymer blends and nanoparticles on nanopatterned substrates. We show that results from Simulations are in good agreement with experiment, and we use our theoretical findings to help explain the experimental observations."],["dc.identifier.doi","10.1021/ma702514v"],["dc.identifier.isi","000257366200062"],["dc.identifier.uri","https://resolver.sub.uni-goettingen.de/purl?gro-2/53803"],["dc.notes.status","zu prüfen"],["dc.notes.submitter","Najko"],["dc.publisher","Amer Chemical Soc"],["dc.relation.issn","0024-9297"],["dc.title","Monte Carlo simulations of a coarse grain model for block copolymers and nanocomposites"],["dc.type","journal_article"],["dc.type.internalPublication","yes"],["dc.type.peerReviewed","yes"],["dc.type.status","published"],["dspace.entity.type","Publication"]]

[["dc.bibliographiccitation.firstpage","2589"],["dc.bibliographiccitation.issue","18"],["dc.bibliographiccitation.journal","Journal of Polymer Science Part B Polymer Physics"],["dc.bibliographiccitation.lastpage","2604"],["dc.bibliographiccitation.volume","44"],["dc.contributor.author","Daoulas, Kostas Ch."],["dc.contributor.author","Mueller, Marcus"],["dc.contributor.author","Stoykovich, Mark P."],["dc.contributor.author","Papakonstantopoulos, Yioryos J."],["dc.contributor.author","de Pablo, Juan J."],["dc.contributor.author","Nealey, Paul F."],["dc.contributor.author","Park, S. M."],["dc.contributor.author","Solak, Harun H."],["dc.date.accessioned","2018-11-07T09:15:27Z"],["dc.date.available","2018-11-07T09:15:27Z"],["dc.date.issued","2006"],["dc.description.abstract","The self-assembly of a lamella-forming blend of a diblock copolymer and its respective homopolymers on periodically patterned substrates is investigated by a concerted experimental and theoretical approach. The substrate pattern consists of square arrays of spots that preferentially attract one component of the blend. The mismatch between the lamellar equilibrium morphology of the copolymer material and the substrate pattern results in the formation of a bicontinuous morphology. At the substrate, a quadratically perforated lamella (QPL) assembles in perfect registry with the substrate pattern. From this, QPL necks emanate and reach the top surface of the film. The detailed structure of these cylindrical nanochannels is analyzed using Voronoi tessellation, orientation correlation functions, and the structure factor of the neck positions on the top surface. The surface morphology is dictated by the antagonism of the square symmetry of the substrate pattern and the tendency of the necks to locally pack in a hexagonal arrangement. The analogy and differences to a system of adsorbed monolayer on corrugated substrates is explored by comparing the arrangement of the necks on the film's top surface with the structure of a soft disk model on a quadratically corrugated substrate. (c) 2006 Wiley Periodicals, Inc."],["dc.identifier.doi","10.1002/polb.20904"],["dc.identifier.isi","000240300100008"],["dc.identifier.uri","https://resolver.sub.uni-goettingen.de/purl?gro-2/27691"],["dc.notes.status","zu prüfen"],["dc.notes.submitter","Najko"],["dc.publisher","John Wiley & Sons Inc"],["dc.relation.issn","0887-6266"],["dc.title","Directed assembly of copolymer materials on patterned substrates: Balance of simple symmetries in complex structures"],["dc.type","journal_article"],["dc.type.internalPublication","yes"],["dc.type.peerReviewed","yes"],["dc.type.status","published"],["dspace.entity.type","Publication"]]

[["dc.bibliographiccitation.artnumber","114904"],["dc.bibliographiccitation.issue","11"],["dc.bibliographiccitation.journal","The Journal of Chemical Physics"],["dc.bibliographiccitation.volume","135"],["dc.contributor.author","Pike, Darin Q."],["dc.contributor.author","Mueller, Marcus"],["dc.contributor.author","de Pablo, Juan J."],["dc.date.accessioned","2018-11-07T08:51:40Z"],["dc.date.available","2018-11-07T08:51:40Z"],["dc.date.issued","2011"],["dc.description.abstract","We perform a theoretically informed coarse grain Monte-Carlo simulation in the nPT-ensemble and the Gibbs ensemble on symmetric ternary mixtures of AB-diblock copolymers with the corresponding homopolymers. We study the lamellar period by varying the length and amount of homopolymers. The homopolymer distribution within the lamellar morphology is determined as is the maximum amount of homopolymer within the lamellae. Gibbs ensemble simulations are used to locate the three-phase coexistence between two homopolymer-rich phases and a lamellar phase. (C) 2011 American Institute of Physics. [doi:10.1063/1.3638175]"],["dc.identifier.doi","10.1063/1.3638175"],["dc.identifier.isi","000295699500041"],["dc.identifier.pmid","21950884"],["dc.identifier.uri","https://resolver.sub.uni-goettingen.de/purl?gro-2/21993"],["dc.notes.status","zu prüfen"],["dc.notes.submitter","Najko"],["dc.publisher","Amer Inst Physics"],["dc.relation.issn","0021-9606"],["dc.title","Monte-Carlo simulation of ternary blends of block copolymers and homopolymers"],["dc.type","journal_article"],["dc.type.internalPublication","yes"],["dc.type.peerReviewed","yes"],["dc.type.status","published"],["dspace.entity.type","Publication"]]