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Publications

Block copolymer self-assembly-directed synthesis of mesoporous gyroidal superconductors

Cornell Affiliated Author(s)
Author
S.W. Robbins
P.A. Beaucage
H. Sai
K.W. Tan
J.G. Werner
J.P. Sethna
F.J. DiSalvo
Sol Gruner
R.B. Van Dover
U. Wiesner
Abstract

Superconductors with periodically ordered mesoporous structures are expected to have properties very different from those of their bulk counterparts. Systematic studies of such phenomena to date are sparse, however, because of a lack of versatile synthetic approaches to such materials. We demonstrate the formation of three-dimensionally continuous gyroidal mesoporous niobium nitride (NbN) superconductors from chiral ABC triblock terpolymer selfassembly- directed sol-gel-derived niobium oxide with subsequent thermal processing in air and ammonia gas.

Journal
Science Advances
Date Published
Funding Source
DE-FG02-11ER16210
DGE-1144153
DMR-1104773
DMR-1312160
ECCS-15420819
Group (Lab)
James Sethna Group
Sol M. Gruner Group

Integrating hybrid area detectors for storage ring and free-electron laser applications

Cornell Affiliated Author(s)
Author
H. Graafsma
J. Becker
Sol Gruner
Abstract

Hybrid pixel array detectors (HPADs) have a major impact on the science performed at x-ray synchrotron radiation sources. Broadly speaking, HPADs are of either the photon-counting or integrating variety. The success of photoncounting HPADs at storage rings is well described in the contribution by Brönnimann and Trüb.

Journal
Synchrotron Light Sources and Free-Electron Lasers: Accelerator Physics, Instrumentation and Science Applications
Date Published
Group (Lab)
Sol M. Gruner Group

Introduction to the Variational and Diffusion Monte Carlo Methods

Cornell Affiliated Author(s)
Author
Julien Toulouse
Roland Assaraf
Cyrus Umrigar
Abstract

We provide a pedagogical introduction to the two main variants of real-space quantum Monte Carlo methods for electronic structure calculations: variational Monte Carlo (VMC) and diffusion Monte Carlo (DMC). Assuming no prior knowledge on the subject, we review in depth the Metropolis-Hastings algorithm used in VMC for sampling the square of an approximate wave function, discussing details important for applications to electronic systems.

Journal
Advances in Quantum Chemistry
Date Published
Funding Source
CHE-1112097
DOE-CMCSN
DE-SC0006650
Group (Lab)
Cyrus Umrigar Group

Oxygen evolution reaction electrocatalysis on SrIrO3 grown using molecular beam epitaxy

Cornell Affiliated Author(s)
Author
R. Tang
Y. Nie
J.K. Kawasaki
D.-Y. Kuo
G. Petretto
G. Hautier
G.-M. Rignanese
K.M. Shen
D.G. Schlom
J. Suntivich
Abstract

Electrochemical generation of oxygen via the oxygen evolution reaction (OER) is a key enabling step for many air-breathing electrochemical energy storage devices. IrO2 (Ir4+: 5d5) ranks among the most active known OER catalysts. However, it is unclear how the environment of the Ir4+ oxygen-coordination octahedra affects the OER electrocatalysis. Herein, we present the OER kinetics on a single-crystal, epitaxial SrIrO3(100)p perovskite oxide synthesized using molecular-beam epitaxy on a DyScO3(110) substrate.

Journal
Journal of Materials Chemistry A
Date Published
Group (Lab)
Kyle Shen Group

Protein crystal structure from non-oriented, single-axis sparse X-ray data

Cornell Affiliated Author(s)
Author
J.L. Wierman
T.-Y. Lan
M.W. Tate
H.T. Philipp
V. Elser
Sol Gruner
Abstract

X-ray free-electron lasers (XFELs) have inspired the development of serial femtosecond crystallography (SFX) as a method to solve the structure of proteins. SFX datasets are collected from a sequence of protein microcrystals injected across ultrashort X-ray pulses. The idea behind SFX is that diffraction from the intense, ultrashort X-ray pulses leaves the crystal before the crystal is obliterated by the effects of the X-ray pulse.

Journal
IUCrJ
Date Published
Funding Source
1332208
Group (Lab)
Sol M. Gruner Group
Veit Elser Group

Relating microstructure and particle-level stress in colloidal crystals under increased confinement

Cornell Affiliated Author(s)
Author
N.Y.C. Lin
Itai Cohen
Abstract

The mechanical properties of crystalline materials can be substantially modified under confinement. Such modified macroscopic properties are usually governed by the altered microstructures and internal stress fields. Here, we use a parallel plate geometry to apply a quasi-static squeeze flow crushing a colloidal polycrystal while simultaneously imaging it with confocal microscopy. The confocal images are used to quantify the local structure order and, in conjunction with Stress Assessment from Local Structural Anisotropy (SALSA), determine the stress at the single-particle scale.

Journal
Soft Matter
Date Published
Funding Source
1507607
Group (Lab)
Itai Cohen Group

Stability of a Bose-Einstein condensate in a driven optical lattice: Crossover between weak and tight transverse confinement

Cornell Affiliated Author(s)
Author
S. Choudhury
E.J. Mueller
Abstract

We explore the effect of transverse confinement on the stability of a Bose-Einstein condensate loaded in a shaken one-dimensional or two-dimensional square lattice. We calculate the decay rate from two-particle collisions. We predict that if the transverse confinement exceeds a critical value, then, for appropriate shaking frequencies, the condensate is stable against scattering into transverse directions. We explore the confinement dependence of the loss rate, explaining the rich structure in terms of resonances. © 2015 American Physical Society.

Journal
Physical Review A - Atomic, Molecular, and Optical Physics
Date Published

Traveling surface spin-wave resonance spectroscopy using surface acoustic waves

Cornell Affiliated Author(s)
Author
P. Gowtham
T. Moriyama
D. Ralph
Robert Buhrman
Abstract

Coherent gigahertz-frequency surface acoustic waves (SAWs) traveling on the surface of a piezoelectric crystal can, via the magnetoelastic interaction, resonantly excite traveling surface spin waves in an adjacent thin-film ferromagnet. These excited surface spin waves, traveling with a definite in-plane wave-vector q∥ enforced by the SAW, can be detected by measuring changes in the electro-acoustical transmission of a SAW delay line.

Journal
AIP Publishing
Date Published

Visualization, coarsening, and flow dynamics of focal conic domains in simulated smectic- A liquid crystals

Cornell Affiliated Author(s)
Author
D.B. Liarte
M. Bierbaum
M. Zhang
B.D. Leahy
Itai Cohen
J.P. Sethna
Abstract

Smectic liquid crystals vividly illustrate the subtle interplay of broken translational and orientational symmetries, by exhibiting defect structures forming geometrically perfect confocal ellipses and hyperbolas. Here, we develop and numerically implement an effective theory to study the dynamics of focal conic domains in smectic-A liquid crystals. We use the information about the smectic's structure and energy density provided by our simulations to develop several novel visualization tools for the focal conics.

Journal
Physical Review E - Statistical, Nonlinear, and Soft Matter Physics
Date Published
Research Area
Group (Lab)
Itai Cohen Group
James Sethna Group

T7 replisome directly overcomes DNA damage

Cornell Affiliated Author(s)
Author
B. Sun
M. Pandey
J.T. Inman
Y. Yang
M. Kashlev
S.S. Patel
M.D. Wang
Abstract

Cells and viruses possess several known 'restart' pathways to overcome lesions during DNA replication. However, these 'bypass' pathways leave a gap in replicated DNA or require recruitment of accessory proteins, resulting in significant delays to fork movement or even cell division arrest. Using single-molecule and ensemble methods, we demonstrate that the bacteriophage T7 replisome is able to directly replicate through a leading-strand cyclobutane pyrimidine dimer (CPD) lesion.

Journal
Nature Communications
Date Published
Research Area
Group (Lab)
Michelle Wang Group