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Modeling Of The Size Effects On The Behavior Of Metals In Microscale Deformation Processes, Gap-Yong Kim, Jun Ni, Muammer Koc
Modeling Of The Size Effects On The Behavior Of Metals In Microscale Deformation Processes, Gap-Yong Kim, Jun Ni, Muammer Koc
Gap-Yong Kim
For the accurate analysis and design of microforming process, proper modeling of material behavior at the micro/mesoscale is necessary by considering the size effects. Two size effects are known to exist in metallic materials. One is the “grain size” effect, and the other is the “feature/specimen size” effect. This study investigated the feature/specimen size effect and introduced a scaling model which combined both feature/specimen and grain size effects. Predicted size effects were compared with three separate experiments obtained from previous research: a simple compression with a round specimen, a simple tension with a round specimen, and a simple tension in …
Effect Of Chain Architecture And Surface Energies On The Ordering Behavior Of Lamellar And Cylinder Forming Block Copolymers, V. Khanna, Eric W. Cochran, A. Hexemer, G. E. Stein, G. H. Fredrickson, E. J. Kramer, X. Li, J. Wang, S. F. Hahn
Effect Of Chain Architecture And Surface Energies On The Ordering Behavior Of Lamellar And Cylinder Forming Block Copolymers, V. Khanna, Eric W. Cochran, A. Hexemer, G. E. Stein, G. H. Fredrickson, E. J. Kramer, X. Li, J. Wang, S. F. Hahn
Eric W. Cochran
We investigate the effect of surface energy and chain architecture on the orientation of microdomains in relatively thick films (600-800 nm) of lamellar and cylindrical block copolymers of poly(cyclohexylethylene) (C) and poly(ethylene) (E). The E block has 26 ethyl branches per 1000 backbone carbon atoms. Melt surface energies of the C and E blocks are 22.3 and 20.9 mJ/m 2, respectively. Grazing-incidence small-angle X-ray scattering (GISAXS), scanning force microscopy (SFM), and cross-sectional transmission electron microscopy (TEM) show that cylindrical and lamellar CEC triblock copolymers orient their microdomains normal to the surface throughout the film thickness. However, a lamellar CE diblock …
Posterminaries: After Nabarro, Alexander H. King
Posterminaries: After Nabarro, Alexander H. King
Alexander H. King
With the passing of Frank Nabarro in July of this year, we have lost one of the founding fathers of materials science. His name appears in many of the textbooks from which we train our students today, and also on the spines of several volumes on dislocation theory, including his classic monograph on the subject. He rightly stands among the gods of our field. Ninety years old at his death, he was a sprightly dancer at the frontiers of knowledge, right up to the end.
Modeling Of The Semi-Solid Material Behavior And Analysis Of Micro-/Mesoscale Feature Forming, Gap-Yong Kim, Muammer Koc, Rhet Mayor, Jun Ni
Modeling Of The Semi-Solid Material Behavior And Analysis Of Micro-/Mesoscale Feature Forming, Gap-Yong Kim, Muammer Koc, Rhet Mayor, Jun Ni
Gap-Yong Kim
One of the major challenges in simulation of semi-solid forming is characterizing the complex behavior of a material that consists of both solid and liquid phases. In this study, a material model for an A356 alloy in a semi-solid state has been developed for high solid fractions (>0.6) and implemented into a finite element simulation tool to investigate the micro-/mesoscale feature formation during the forming process. Compared to previous stress models, which are limited to expressing the stress dependency on only the strain rate and the temperature (or the solid fraction), the proposed stress model adds the capability of …
An Experimental Investigation On Semi-Solid Forming Of Micro/Meso-Scale Features, Gap-Yong Kim, Jun Ni, Rhett Mayor, Heesool Kim
An Experimental Investigation On Semi-Solid Forming Of Micro/Meso-Scale Features, Gap-Yong Kim, Jun Ni, Rhett Mayor, Heesool Kim
Gap-Yong Kim
The potentials of semi-solid forming technology have generated much interest regarding its application in micromanufacturing. This study investigates the feasibility of using semi-solid forming technology to produce parts with micro/meso features. An experimental setup has been developed to study the effects of die/punch temperature, initial solid fraction, punch speed, and workpiece shape on the semi-solid forming process. A part has been produced for a microreactor application and has been analyzed with an optical measurement system for feature formation. The results indicated complex interaction among the process parameters and the material flow, which affected the final pin formation. The punch temperature …
Semicrystalline Thermoplastic Elastomeric Polyolefins: Advances Through Catalyst Development And Macromolecular Design, Atsushi Hotta, Eric W. Cochran, Janne Ruokolainen, Vikram Khann, Glenn H. Fredrickson, Edward J. Kramer, Yong-Woo Shin, Fumihiko Shimizu, Anna E. Cherian, Phillip D. Hustad, Jeffrey M. Rose, Geoffrey W. Coates
Semicrystalline Thermoplastic Elastomeric Polyolefins: Advances Through Catalyst Development And Macromolecular Design, Atsushi Hotta, Eric W. Cochran, Janne Ruokolainen, Vikram Khann, Glenn H. Fredrickson, Edward J. Kramer, Yong-Woo Shin, Fumihiko Shimizu, Anna E. Cherian, Phillip D. Hustad, Jeffrey M. Rose, Geoffrey W. Coates
Eric W. Cochran
We report the design, synthesis, morphology, phase behavior, and mechanical properties of semicrystalline, polyolefin-based block copolymers. By using living, stereoselective insertion polymerization catalysts, syndiotactic polypropylene-block-poly(ethylene-co-propylene)-block-syndiotactic polypropylene and isotactic poly propylene-block-regioirregular poly propylene-block- isotactic polypropylene triblock copolymers were synthesized. The volume fraction and composition of the blocks, as well as the overall size of the macromolecules, were controlled by sequential synthesis of each block of the polymers. These triblock copolymers, with semicrystalline end-blocks and mid-segments with low glass-transition temperatures, show significant potential as thermoplastic elastomers. They have low Young's moduli, large strains at break, and better than 90% elastic recovery at …
Hydrogen And Deuterium Exchange On Pt(111) And Its Poisoning By Carbon Monoxide Studied By Surface Sensitive High-Pressure Techniques, Max Montano, Kaitlin M. Bratlie, Miquel Salmeron, Gabor A. Somorjai
Hydrogen And Deuterium Exchange On Pt(111) And Its Poisoning By Carbon Monoxide Studied By Surface Sensitive High-Pressure Techniques, Max Montano, Kaitlin M. Bratlie, Miquel Salmeron, Gabor A. Somorjai
Kaitlin M. Bratlie
Catalytic hydrogen/deuterium exchange on a platinum (111) single crystal and its poisoning with carbon monoxide was studied using scanning tunneling microscopy (STM), X-ray photoelectron spectroscopy (XPS), sum frequency generation vibrational spectroscopy (SFG), and mass spectrometry under reaction conditions at pressures in the mTorr to atmospheric range. At 298 K and in the presence of 200 mTorr of hydrogen and 20 mTorr of deuterium the surface is catalytically active, producing HD with activation energy of 5.3 kcal/mol. Addition of 5 mTorr of CO stops the reaction completely. In situ STM images reveal an ordered surface structure of chemisorbed CO. At 353 …
Sum Frequency Generation Vibrational Spectroscopic And High-Pressure Scanning Tunneling Microscopic Studies Of Benzene Hydrogenation On Pt(111), Kaitlin M. Bratlie, Max O. Montano, Lucio D. Flores, Matti Paajanen, Gabor A. Somorjai
Sum Frequency Generation Vibrational Spectroscopic And High-Pressure Scanning Tunneling Microscopic Studies Of Benzene Hydrogenation On Pt(111), Kaitlin M. Bratlie, Max O. Montano, Lucio D. Flores, Matti Paajanen, Gabor A. Somorjai
Kaitlin M. Bratlie
Sum frequency generation (SFG) vibrational spectroscopy and high-pressure scanning tunneling microscopy (HP-STM) have been used in combination for the first time to study a catalytic reaction. These techniques have been able to identify surface intermediates in situ during benzene hydrogenation on a Pt(111) single-crystal surface at Torr pressures.
Comment On “Structural Stability Of Complex Hydrides: Libh4 Revisited”, Duane D. Johnson, Nikolai A. Zarkevich
Comment On “Structural Stability Of Complex Hydrides: Libh4 Revisited”, Duane D. Johnson, Nikolai A. Zarkevich
Duane D. Johnson
A Comment on the Letter by Zbigniew Łodziana and Tejs Vegge, Phys. Rev. Lett. 93, 145501 (2004).
Structure Effects Of Benzene Hydrogenation Studied With Sum Frequency Generation Vibrational Spectroscopy And Kinetics On Pt(111) And Pt(100) Single-Crystal Surfaces, Kaitlin M. Bratlie, Christopher J. Kliewer, Gabor A. Somorjai
Structure Effects Of Benzene Hydrogenation Studied With Sum Frequency Generation Vibrational Spectroscopy And Kinetics On Pt(111) And Pt(100) Single-Crystal Surfaces, Kaitlin M. Bratlie, Christopher J. Kliewer, Gabor A. Somorjai
Kaitlin M. Bratlie
Sum frequency generation (SFG) surface vibrational spectroscopy and kinetic measurements using gas chromatography have identified at least two reaction pathways for benzene hydrogenation on the Pt(100) and Pt(111) single-crystal surfaces at Torr pressures. Kinetic studies at low temperatures (310-370 K) show that benzene hydrogenation does not proceed through cyclohexene. A Langmuir-Hinshelwood-type rate law for the low-temperature reaction pathway is identified. The rate-determining step for this pathway is the addition of the first hydrogen atom to adsorbed benzene for both single-crystal surfaces, which is verified by the spectroscopic observation of adsorbed benzene at low temperatures on both the Pt(100) and Pt(111) …
Posterminaries: The Scales Of Judgement, Alexander H. King
Posterminaries: The Scales Of Judgement, Alexander H. King
Alexander H. King
Materials scientists are generally well-versed in physics, and physics, above all, is a science of measurements. The first instinct of a physicist is to parse a problem in terms of its measurables in the dimensions of mass, length, and time, and it is the shifting of attention down the scale of length that particularly characterizes our present times as the Nano Age.
Dynamics Of Surface Catalyzed Reactions; The Roles Of Surface Defects, Surface Diffusion, And Hot Electrons, Gabor Somorjai, Kaitlin Bratlie, Max Montano, Jeong Park
Dynamics Of Surface Catalyzed Reactions; The Roles Of Surface Defects, Surface Diffusion, And Hot Electrons, Gabor Somorjai, Kaitlin Bratlie, Max Montano, Jeong Park
Kaitlin M. Bratlie
The mechanism that controls bond breaking at transition metal surfaces has been studied with sum frequency generation (SFG), scanning tunneling microscopy (STM), and catalytic nanodiodes operating under the highpressure conditions. The combination of these techniques permits us to understand the role of surface defects, surface diffusion, and hot electrons in dynamics of surface catalyzed reactions. Sum frequency generation vibrational spectroscopy and kinetic measurements were performed under 1.5 Torr of cyclohexene hydrogenation/dehydrogenation in the presence and absence of H2 and over the temperature range 300-500 K on the Pt(100) and Pt(111) surfaces. The structure specificity of the Pt(100) and Pt(111) surfaces …
In Situ Sum Frequency Generation Vibrational Spectroscopy Observation Of A Reactive Surface Intermediate During High-Pressure Benzene Hydrogenation, Kaitlin M. Bratlie, Lucio D. Flores, Gabor A. Somorjai
In Situ Sum Frequency Generation Vibrational Spectroscopy Observation Of A Reactive Surface Intermediate During High-Pressure Benzene Hydrogenation, Kaitlin M. Bratlie, Lucio D. Flores, Gabor A. Somorjai
Kaitlin M. Bratlie
Sum frequency generation surface vibrational spectroscopy and kinetic measurements using gas chromatography have been used to identify a reactive surface intermediate in situ during hydrogenation of benzene on a Pt(111) single crystal surface at Torr pressures. Upon adsorption at 310 K, both chemisorbed and physisorbed benzene coexist on the surface, a result which has not previously been observed. Kinetic measurements show a linear compensation effect for the production of both cyclohexane and cyclohexene. From these data the isokinetic temperature was identified and correlated to the chemisorbed benzene species, which were probed by means of vibrational spectroscopy. Additionally, chemisorbed benzene was …
Stability Of The Gyroid Phase In Diblock Copolymers At Strong Segregation, Eric W. Cochran, Carlos J. Garcia-Cervera, Glenn H. Fredrickson
Stability Of The Gyroid Phase In Diblock Copolymers At Strong Segregation, Eric W. Cochran, Carlos J. Garcia-Cervera, Glenn H. Fredrickson
Eric W. Cochran
The gyroid phase in diblock copolymers at strong segregation was stabilized. The intriguing topology of the network structure has inspired a diverse array of potential applications ranging from high-performance separation membranes to photonic crystals. The pressure field enforces incompressibility, while the exchange field is conjugate to the composition pattern in the melt. The Laplacian operator is treated implicitly with a fourth-order backward differentiation formula (BDF4), whereas the source term is discretized explicitly using fourth-order accurate Adams-Bashford.
Modeling Energetics And Noise In Dislocation Patterning, Robb Thomson, M. Koslowski, Richard Alan Lesar
Modeling Energetics And Noise In Dislocation Patterning, Robb Thomson, M. Koslowski, Richard Alan Lesar
Richard Alan Lesar
We explore the underlying physics of dislocation ordering in deforming metals, where we focus on the competing role of energy relaxation and the fluctuations (noise) in the local stress field. We investigate the competition by employing a simple two-dimensional model that exhibits the essential physics, while avoiding extraneous mechanisms that might cloud the issues. We show that noise and energetics are equally important in determining the final state of the system. Quantitative functions for the energetic driving force for ordering and the resistive force owing to the noise are developed that balance one another at the relaxed state. These features …
Cluster-Type Basic Lanthanide Iodides [M6(Μ6-O)(Μ3-Oh)8(H2o)24]I8(H2o)8 (M = Nd, Eu, Tb, Dy), Anja V. Mudring, Tudor Timofte, Arash Babai
Cluster-Type Basic Lanthanide Iodides [M6(Μ6-O)(Μ3-Oh)8(H2o)24]I8(H2o)8 (M = Nd, Eu, Tb, Dy), Anja V. Mudring, Tudor Timofte, Arash Babai
Anja V. Mudring
Ln6(μ6-O)(μ3-OH)8(H2O)24]I8(H2O)8 (Ln = Nd, Eu, Tb, Dy) compounds are obtained as the final hydrolysis products of lanthanide triiodides in an aqueous solution. Their X-ray crystal structure features a body-centered arrangement of oxygen-centered {Ln6X8}8+ cluster cores: [Nd6(μ6-O)(μ3-OH)8(H2O)24]I8(H2O)8 [Pearson code oP156, orthorhombic, Pnnm (No. 58), Z = 2, a = 1310.4(3) pm, b = 1502.1(3) pm, c = 1514.9(3) pm, 3384 reflections with I0 > 2σ(I0), R1 = 0.0340, wR2 = 0.0764, GOF = 1.022, T = 298(2) K], [Eu6(μ6-O)(μ3-OH)8(H2O)24]I8(H2O)8 [Pearson code oP156, orthorhombic, Pnnm (No. 58), Z = 2, a = 1306.6(2) pm, b = 1498.15(19) pm, c = 1499.41(18) pm, 4262 …
Homoleptic Alkaline Earth Metal Bis(Trifluoromethanesulfonyl)Imide Complex Compounds Obtained From An Ionic Liquid, Arash Babai, Anja V. Mudring
Homoleptic Alkaline Earth Metal Bis(Trifluoromethanesulfonyl)Imide Complex Compounds Obtained From An Ionic Liquid, Arash Babai, Anja V. Mudring
Anja V. Mudring
The first homoleptic alkaline earth bis(trifluoromethanesulfonyl)imide (Tf2N) complexes [mppyr]2[Ca(Tf2N)4], [mppyr]2[Sr(Tf2N)4], and [mppyr][Ba(Tf2N)3] were crystallized from a solution of the respective alkaline earth bis(trifluoromethanesulfonyl)imide and the ionic liquid [mppyr][Tf2N] (mppyr = 1,1-N-methyl-N-propylpyrrolidinium). In the calcium and strontium compounds, the alkaline earth metal (AE) is coordinated by four bidentately chelating Tf2N ligands to form isolated (distorted) square antiprismatic [AE(Tf2N)4]2- complexes which are separated by N-methyl-N-propylpyrrolidinium cations. In contrast, the barium compound, [mppyr][Ba(Tf2N)3], forms an extended structure. Here the alkaline earth cation is surrounded by six oxygen atoms belonging to three Tf2N- anions which coordinate in a bidentate chelating fashion. Three further oxygen …
The First Homoleptic Bis(Trifluoromethanesulfonyl)Amide Complex Compounds Of Trivalent F-Elements, Anja V. Mudring, Arash Babai
The First Homoleptic Bis(Trifluoromethanesulfonyl)Amide Complex Compounds Of Trivalent F-Elements, Anja V. Mudring, Arash Babai
Anja V. Mudring
The synthesis and crystal structures of the first true homoleptic bis(trifluoromethanesulfonyl)amide complex compounds of trivalent f-elements are reported with [bmpyr]2[Ln(Tf2N)5], Ln = Nd, Tb and [bmpyr][Ln(Tf2N)4], Ln = Tm, Lu.
Crystal Engineering In Ionic Liquids. The Crystal Structures Of [Mppyr]3[Ndi6] And [Bmpyr]4[Ndi6][Tf2n], Arash Babai, Anja V. Mudring
Crystal Engineering In Ionic Liquids. The Crystal Structures Of [Mppyr]3[Ndi6] And [Bmpyr]4[Ndi6][Tf2n], Arash Babai, Anja V. Mudring
Anja V. Mudring
Single crystals of [mppyr][NdI6] and [bmpyr][NdI6][Tf2N] are the first surprising examples of how the cation of an ionic liquid determines the compound formation from an ionic liquid. Depending upon the variation of the length of the alkyl chain of the quaternary pyrrolidinium cation (C3 and C4, respectively), incorporation of the anion of the ionic liquid, [Tf2N]-, can either be evoked or suppressed.
Posterminaries: Plain Text, Alexander H. King
Posterminaries: Plain Text, Alexander H. King
Alexander H. King
You just can’t win an argument with an English professor.
Thermal Effects On Domain Orientation Of Tetragonal Piezoelectrics Studied By In Situ X-Ray Diffraction, Wonyoung Chang, Alexander H. King, Keith J. Bowman
Thermal Effects On Domain Orientation Of Tetragonal Piezoelectrics Studied By In Situ X-Ray Diffraction, Wonyoung Chang, Alexander H. King, Keith J. Bowman
Alexander H. King
Thermal effects on domain orientation in tetragonal lead zirconate titanate (PZT) and lead titanate (PT) have been investigated by using in situ x-ray diffraction with an area detector. In the case of a soft PZT, it is found that the texture parameter called multiples of a random distribution (MRD) initially increases with temperature up to approximately 100 °C and then falls to unity at temperatures approaching the Curie temperature, whereas the MRD of hard PZT and PT initially undergoes a smaller increase or no change. The relationship between the mechanical strain energy and domain wall mobility with temperature is discussed.
Recycling Krylov Subspaces For Sequences Of Linear Systems, Michael L. Parks, Eric De Sturler, Greg Mackey, Duane D. Johnson, Spandan Maiti
Recycling Krylov Subspaces For Sequences Of Linear Systems, Michael L. Parks, Eric De Sturler, Greg Mackey, Duane D. Johnson, Spandan Maiti
Duane D. Johnson
Many problems in science and engineering require the solution of a long sequence of slowly changing linear systems. We propose and analyze two methods that significantly reduce the total number of matrix‐vector products required to solve all systems. We consider the general case where both the matrix and right‐hand side change, and we make no assumptions regarding the change in the right‐hand sides. Furthermore, we consider general nonsingular matrices, and we do not assume that all matrices are pairwise close or that the sequence of matrices converges to a particular matrix. Our methods work well under these general assumptions, and …
Solute/Defect-Mediated Pathway For Rapid Nanoprecipitation In Solid Solutions: Γ Surface Analysis In Fcc Al-Ag, Daniel Finkenstadt, Duane D. Johnson
Solute/Defect-Mediated Pathway For Rapid Nanoprecipitation In Solid Solutions: Γ Surface Analysis In Fcc Al-Ag, Daniel Finkenstadt, Duane D. Johnson
Duane D. Johnson
In face-centered-cubic (fcc) Al, stacking fault energy (SFE) is high at ca. 150mJ/m2, inhibiting stacking fault (SF) formation and dislocation motion. Yet Ag-rich hcp precipitates form rapidly in Al-rich fcc Al-Ag, even as the energy difference ΔEhcp−fcc between hcp and fcc homogeneous solid solution increases with Ag content. Using electronic density functional theory methods, we calculate the SFE γSF versus distance of Ag (111) planes from intrinsic (isf), extrinsic (esf) and twin (tsf) SFs. We find that an inhomogeneous distribution of Ag solute segregated in layers adjacent to SFs leads to favorable SFE, a manifestation of the well-known Suzuki effect. …
Generalized Planar Fault Energies And Twinning In Cu–Al Alloys, S. Kibey, J. B. Liu, Duane D. Johnson, H. Sehitoglu
Generalized Planar Fault Energies And Twinning In Cu–Al Alloys, S. Kibey, J. B. Liu, Duane D. Johnson, H. Sehitoglu
Duane D. Johnson
We report ab initio density functional theory calculations of generalized planar fault energies of fcc Cu–xAl (x=0, 5.0, and 8.3at.%) alloys. We investigate the effects of substitutional solute Al on the unstable intrinsic γus and twin γutstacking faultenergies (SFEs). Our results reveal an increased tendency of Cu–Al to deform preferentially by twinning with increasing Al content, consistent with experiment. We attribute this mechanical behavior to appreciable lowering of the twinning barrier γut, along with the stable intrinsic and twin SFEs.