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Articles 1 - 30 of 345

Full-Text Articles in Physics

Complex Oscillatory Decrease With Size In Diffusivity Of {100}-Epitaxially Supported 3d Fcc Metal Nanoclusters, King C. Lai, James W. Evans Oct 2019

Complex Oscillatory Decrease With Size In Diffusivity Of {100}-Epitaxially Supported 3d Fcc Metal Nanoclusters, King C. Lai, James W. Evans

James W. Evans

Diffusion and coalescence of supported 3D metal nanoclusters (NCs) leads to Smoluchowski Ripening (SR), a key pathway for catalyst degradation. Variation of the NC diffusion coefficient, DN, with size N (in atoms) controls SR kinetics. Traditionally, a form DN ∼ N−β was assumed consistent with mean-field analysis. However, KMC simulation of a stochastic model for diffusion of {100}-epitaxially supported fcc NCs mediated by surface diffusion reveals instead a complex oscillatory decrease of DN with N. Barriers for surface diffusion of metal atoms across and between facets, along step edges, etc., in this model are selected to accurately capture behavior ...


Complex Oscillatory Decrease With Size In Diffusivity Of {100}-Epitaxially Supported 3d Fcc Metal Nanoclusters, King C. Lai, James W. Evans Oct 2019

Complex Oscillatory Decrease With Size In Diffusivity Of {100}-Epitaxially Supported 3d Fcc Metal Nanoclusters, King C. Lai, James W. Evans

Ames Laboratory Accepted Manuscripts

Diffusion and coalescence of supported 3D metal nanoclusters (NCs) leads to Smoluchowski Ripening (SR), a key pathway for catalyst degradation. Variation of the NC diffusion coefficient, DN, with size N (in atoms) controls SR kinetics. Traditionally, a form DN ∼ N−β was assumed consistent with mean-field analysis. However, KMC simulation of a stochastic model for diffusion of {100}-epitaxially supported fcc NCs mediated by surface diffusion reveals instead a complex oscillatory decrease of DN with N. Barriers for surface diffusion of metal atoms across and between facets, along step edges, etc., in this model are selected to accurately capture behavior ...


Plasmonic Properties Of Nanoparticle And Two Dimensional Material Integrated Structure, Desalegn Tadesse Debu May 2019

Plasmonic Properties Of Nanoparticle And Two Dimensional Material Integrated Structure, Desalegn Tadesse Debu

Theses and Dissertations

Recently, various groups have demonstrated nano-scale engineering of nanostructures for optical to infrared wavelength plasmonic applications. Most fabrication technique processes, especially those using noble metals, requires an adhesion layer. Previously proposed theoretical work to support experimental measurement often neglect the effect of the adhesion layers. The first finding of this work focuses on the impact of the adhesion layer on nanoparticle plasmonic properties. Gold nanodisks with a titanium adhesion layer are investigated by calculating the scattering, absorption, and extinction cross-section with numerical simulations using a finite difference time domain (FDTD) method. I demonstrate that a gold nanodisk with an adhesive ...


Modeling Multiphase Flow And Substrate Deformation In Nanoimprint Manufacturing Systems, Andrew Cochrane Apr 2019

Modeling Multiphase Flow And Substrate Deformation In Nanoimprint Manufacturing Systems, Andrew Cochrane

Nanoscience and Microsystems ETDs

Nanopatterns found in nature demonstrate that macroscopic properties of a surface are tied to its nano-scale structure. Tailoring the nanostructure allows those macroscopic surface properties to be engineered. However, a capability-gap in manufacturing technology inhibits mass-production of nanotechnologies based on simple, nanometer-scale surface patterns. This gap represents an opportunity for research and development of nanoimprint lithography (NIL) processes. NIL is a process for replicating patterns by imprinting a fluid layer with a solid, nano-patterned template, after which ultraviolet cure solidifies the fluid resulting in a nano-patterned surface. Although NIL has been demonstrated to replicate pattern features as small as 4 ...


Analysis Of Dynamic Behaviour Of A Tensioned Carbon Nanotube In Thermal And Pressurized Environments, Ahmed Yinusa, Gbeminiyi Sobamowo Mar 2019

Analysis Of Dynamic Behaviour Of A Tensioned Carbon Nanotube In Thermal And Pressurized Environments, Ahmed Yinusa, Gbeminiyi Sobamowo

Karbala International Journal of Modern Science

In this paper, the dynamic behaviour of a tensioned single-walled carbon nanotubes (SWCNT) in thermal and pressurized environments is investigated analytically. With the applications of Bernoulli-Euler and thermal elasticity mechanics theories, the governing equation of motion are developed and solved using Laplace and Fourier transforms. The results of the close form solution in this work are in excellent agreements with past results in literature. From the parametric studies, it is established that as the magnitude of the pressure distribution at the surface increases, the deflection associated with the nanotube increases at any mode of vibration. However, a corresponding increase in ...


Nonlinearity In The Dark: Broadband Terahertz Generation With Extremely High Efficiency, Ming Fang, Nian-Hai Shen, Wei E. I. Sha, Zhixiang Huang, Thomas Koschny, Costas M. Soukoulis Jan 2019

Nonlinearity In The Dark: Broadband Terahertz Generation With Extremely High Efficiency, Ming Fang, Nian-Hai Shen, Wei E. I. Sha, Zhixiang Huang, Thomas Koschny, Costas M. Soukoulis

Ames Laboratory Accepted Manuscripts

Plasmonic metamaterials and metasurfaces offer new opportunities in developing high performance terahertz emitters and detectors beyond the limitations of conventional nonlinear materials. However, simple meta-atoms for second-order nonlinear applications encounter fundamental trade-offs in the necessary symmetry breaking and local-field enhancement due to radiation damping that is inherent to the operating resonant mode and cannot be controlled separately. Here we present a novel concept that eliminates this restriction obstructing the improvement of terahertz generation efficiency in nonlinear metasurfaces based on metallic nanoresonators. This is achieved by combining a resonant dark-state metasurface, which locally drives nonlinear nanoresonators in the near field, with ...


On Loss Compensation, Amplification And Lasing In Metallic Metamaterials, Sotiris Droulias, Thomas Koschny, Maria Kafesaki, Costas M. Soukoulis Jan 2019

On Loss Compensation, Amplification And Lasing In Metallic Metamaterials, Sotiris Droulias, Thomas Koschny, Maria Kafesaki, Costas M. Soukoulis

Ames Laboratory Accepted Manuscripts

The design of metamaterials, which are artificial materials that can offer unique electromagnetic properties, is based on the excitation of strong resonant modes. Unfortunately, material absorption—mainly due to their metallic parts—can damp their resonances and hinder their operation. Incorporating a gain material can balance these losses, but this must be performed properly, as a reduced or even eliminated absorption does not guarantee loss compensation. Here we examine the possible regimes of interaction of a gain material with a passive metamaterial and show that background amplification and loss compensation are two extreme opposites, both of which can lead to ...


Thermal Conductivity Of Complex Crystals, High Temperature Materials And Two Dimensional Layered Materials, Xin Qian Jan 2019

Thermal Conductivity Of Complex Crystals, High Temperature Materials And Two Dimensional Layered Materials, Xin Qian

Mechanical Engineering Graduate Theses & Dissertations

Thermal conductivity is a critical property for designing novel functional materials for engineering applications. For applications demanding efficient thermal management like power electronics and batteries, thermal conductivity is a key parameter affecting thermal designs, stability and performances of the devices. Thermal conductivity is also the critical material metrics for applications like thermal barrier coatings (TBCs) in gas turbines and thermoelectrics (TE). Therefore, thermal conductivities of various functional materials have been investigated in the past decade, but most of the materials are simple and isotropic crystals at low temperature. This is because the first-principles calculation is limited to simple crystals at ...


Straintronic Nanomagnetic Devices For Non-Boolean Computing, Md Ahsanul Abeed Jan 2019

Straintronic Nanomagnetic Devices For Non-Boolean Computing, Md Ahsanul Abeed

Theses and Dissertations

Nanomagnetic devices have been projected as an alternative to transistor-based switching devices due to their non-volatility and potentially superior energy-efficiency. The energy efficiency is enhanced by the use of straintronics which involves the application of a voltage to a piezoelectric layer to generate a strain which is ultimately transferred to an elastically coupled magnetostrictive nanomaget, causing magnetization rotation. The low energy dissipation and non-volatility characteristics make straintronic nanomagnets very attractive for both Boolean and non-Boolean computing applications. There was relatively little research on straintronic switching in devices built with real nanomagnets that invariably have defects and imperfections, or their adaptation ...


Kinetics, Energetics, And Size Dependence Of The Transformation From Pt To Ordered Ptsn Intermetallic Nanoparticles, Minda Chen, Yong Han, Tian Wei Goh, Rong Sun, Raghu V. Maligal‐Ganesh, Yuchen Pei, Chia‐ Kuang Tsung, James W. Evans, Wenyu Huang Jan 2019

Kinetics, Energetics, And Size Dependence Of The Transformation From Pt To Ordered Ptsn Intermetallic Nanoparticles, Minda Chen, Yong Han, Tian Wei Goh, Rong Sun, Raghu V. Maligal‐Ganesh, Yuchen Pei, Chia‐ Kuang Tsung, James W. Evans, Wenyu Huang

Chemistry Publications

The outstanding catalytic activity and chemical selectivity of intermetallic compounds make them excellent candidates for heterogeneous catalysis. However, the kinetics of their formation at the nanoscale is poorly understood or characterized, and precise control of their size, shape as well as composition during synthesis remains challenging. Here, using well-defined Pt nanoparticles (5 nm and 14 nm) encapsulated in mesoporous silica, we study the transformation kinetics from monometallic Pt to intermetallic PtSn at different temperatures by a series of time-evolution X-ray diffraction studies. Observations indicate an initial transformation stage mediated by Pt surface-controlled intermixing kinetics, followed by a second stage with ...


Squeezed Nanocrystals: Equilibrium Configuration Of Metal Clusters Embedded Beneath The Surface Of A Layered Material, Scott E. Julien, Ann Lii-Rosales, Kai-Tak Wan, Yong Han, Michael C. Tringides, James W. Evans, Patricia A. Thiel Jan 2019

Squeezed Nanocrystals: Equilibrium Configuration Of Metal Clusters Embedded Beneath The Surface Of A Layered Material, Scott E. Julien, Ann Lii-Rosales, Kai-Tak Wan, Yong Han, Michael C. Tringides, James W. Evans, Patricia A. Thiel

Chemistry Publications

Shapes of functional metallic nanocrystals, typically synthesized either free in solution or supported on surfaces, are key for controlling properties. Here, we consider a novel new class of metallic nanocrystals, copper islands embedded near the surface of graphite, which can be considered a model system for metals embedded beneath surfaces of layered materials, or beneath supported membranes. We develop a continuum elasticity (CE) model for the equilibrium shape of these islands, and compare its predictions with experimental data. The CE model incorporates appropriate surface energy, adhesion energies, and strain energy. The agreement between the CE model and the data is ...


Effect Of (Poly)Electrolytes On The Interfacial Assembly Of Peg Functionalized Gold Nanoparticles, Srikanth Nayak, Max Fieg, Wenjie Wang, Wei Bu, Surya Mallapragada, David Vaknin Jan 2019

Effect Of (Poly)Electrolytes On The Interfacial Assembly Of Peg Functionalized Gold Nanoparticles, Srikanth Nayak, Max Fieg, Wenjie Wang, Wei Bu, Surya Mallapragada, David Vaknin

Chemical and Biological Engineering Publications

We report on the effect of interpolymer complexes (IPCs) of poly(acrylic acid) (PAA) with poly(ethylene glycol) functionalized Au nanoparticles (PEG-AuNPs) as they assemble at the vapor-liquid interface, using surface sensitive synchrotron X-ray scattering techniques. Depending on the suspension pH, PAA functions both as a weak polyelectrolyte and a hydrogen bond donor, and these two roles affect the interfacial assembly of PEG-AuNPs differently. Above its isoelectric point, we find that PAA leads to the formation of a PEG-AuNPs monolayer at the interface with hexagonal structure. In the presence of high concentration of HCl (i.e., below the isoelectric point ...


Imaging Stress And Magnetism At High Pressures Using A Nanoscale Quantum Sensor, S. Hsieh, P. Bhattacharyya, C. Zu, T. Mittiga, T. J. Smart, F. Machado, B. Kobrin, T. O. Hohn, N. Z. Rui, Mehdi Kamrani, S. Chatterjee, S. Choi, M. Zaletel, V. V. Struzhkin, J. E. Moore, Valery I. Levitas, R. Jeanloz, N. Y. Yao Dec 2018

Imaging Stress And Magnetism At High Pressures Using A Nanoscale Quantum Sensor, S. Hsieh, P. Bhattacharyya, C. Zu, T. Mittiga, T. J. Smart, F. Machado, B. Kobrin, T. O. Hohn, N. Z. Rui, Mehdi Kamrani, S. Chatterjee, S. Choi, M. Zaletel, V. V. Struzhkin, J. E. Moore, Valery I. Levitas, R. Jeanloz, N. Y. Yao

Aerospace Engineering Publications

Pressure alters the physical, chemical and electronic properties of matter. The development of the diamond anvil cell (DAC) enables tabletop experiments to investigate a diverse landscape of high-pressure phenomena ranging from the properties of planetary interiors to transitions between quantum mechanical phases. In this work, we introduce and utilize a novel nanoscale sensing platform, which integrates nitrogen-vacancy (NV) color centers directly into the culet (tip) of diamond anvils. We demonstrate the versatility of this platform by performing diffraction-limited imaging (~600 nm) of both stress fields and magnetism, up to pressures ~30 GPa and for temperatures ranging from 25-340 K. For ...


Tunable Electronic And Optical Properties Of Low-Dimensional Materials, Shiyuan Gao Dec 2018

Tunable Electronic And Optical Properties Of Low-Dimensional Materials, Shiyuan Gao

Arts & Sciences Electronic Theses and Dissertations

Two-dimensional (2D) materials with single or a few atomic layers, such as graphene, hexagonal boron nitride (h-BN) and transition metal dichalcogenides (TMDCs), and the heterostructures or one-dimensional (1D) nanostructures they form, have attracted much attention recently as unique platforms for studying many condensed-matter phenomena and holds great potentials for nanoelectronics and optoelectronic applications. Apart from their unique intrinsic properties which has been intensively studied for over a decade by now, they also allow external control of many degrees of freedom, such as electrical gating, doping and layer stacking. In this thesis, I present a theoretical study of the electronic and ...


Improved Gas Sensing Performance Of Ald Azo 3-D Coated Zno Nanorods, P. Lin, X. Chen, K. Zhang, H. Baumgart Dec 2018

Improved Gas Sensing Performance Of Ald Azo 3-D Coated Zno Nanorods, P. Lin, X. Chen, K. Zhang, H. Baumgart

Electrical & Computer Engineering Faculty Publications

This paper reports an enhancement on the sensing performance of ZnO nanorod ethanol sensors with a new approach by utilizing nested coatings of Aluminum doped ZnO (AZO) thin films by Atomic Layer Deposition (ALD) technology. ZnO nanorods were grown by the hydrothermal method with the ZnO seed layer synthesized on Silicon wafers by ALD. To enhance the sensing performance of ZnO nanorod ethanol sensors, multiple coated AZO thin film 3-D coatings were deposited on the surface of the intrinsic ZnO nanorods by ALD.To investigate the sensing performance of the ZnO nanorods sensor for the detection of ethanol vapor, a ...


Optimizing The Plasmonic Enhancement Of Light In Metallic Nanogap Structures For Surface-Enhanced Raman Spectroscopy, Stephen Joseph Bauman Dec 2018

Optimizing The Plasmonic Enhancement Of Light In Metallic Nanogap Structures For Surface-Enhanced Raman Spectroscopy, Stephen Joseph Bauman

Theses and Dissertations

Technology based on the interaction between light and matter has entered something of a renaissance over the past few decades due to improved control over the creation of nanoscale patterns. Tunable nanofabrication has benefitted optical sensing, by which light is used to detect the presence or quantity of various substances. Through methods such as Raman spectroscopy, the optical spectra of solid, liquid, or gaseous samples act as fingerprints which help identify a single type of molecule amongst a background of potentially many other chemicals. This technique therefore offers great benefit to applications such as biomedical sensors, airport security, industrial waste ...


Quasi-Particle Band Structure And Excitonic Effects In One-Dimensional Atomic Chains, Eesha Sanjay Andharia Dec 2018

Quasi-Particle Band Structure And Excitonic Effects In One-Dimensional Atomic Chains, Eesha Sanjay Andharia

Theses and Dissertations

The high exciton binding energy in one dimensional (1D) nano-structures makes them prominent for optoelectronic device applications, making it relevant to theoretically investigate their electronic and optical properties. Many-body effects that are not captured by the conventional density functional theory (DFT) have a huge impact in such selenium and tellurium single helical atomic chains. This work goes one step beyond DFT to include the electron self-energy effects within the GW approximation to obtain a corrected quasi-particle electronic structure. Further, the Bethe-Salpeter equation was solved to obtain the absorption spectrum and to capture excitonic effects. Results were obtained using the Hyberstein-Louie ...


Cementitious Sensors Exhibiting Stopbands In Acoustic Transmission Spectra, Shreya Vemuganti Nov 2018

Cementitious Sensors Exhibiting Stopbands In Acoustic Transmission Spectra, Shreya Vemuganti

Shared Knowledge Conference

Ultrasonic monitoring in cementitious materials is challenging due to the high degree of attenuation. In wellbore environments, monitoring becomes more challenging due to inaccessibility. Meta materials, also known as acoustic bandgap materials, exhibit an interesting feature of forbidding the propagation of elastic/sound waves and isolate vibration in a certain frequency band. Traditionally, acoustic bandgap materials are developed with inclusions such as tin, aluminum, gold, steel in a polymer matrix. In this study, we present the development of three-dimensional cementitious sensors capable of exhibiting stopbands in the acoustic transmission spectra using carbon nanotubes. Relatively wide stopbands were engineered using Floquet-Bloch ...


Two-Dimensional Layered Materials (Graphene-Mos2) Nanocatalysts For Hydrogen Production, Jacob Dobler, Taylor Robinson, Sanju Gupta 7455940 Nov 2018

Two-Dimensional Layered Materials (Graphene-Mos2) Nanocatalysts For Hydrogen Production, Jacob Dobler, Taylor Robinson, Sanju Gupta 7455940

Posters-at-the-Capitol

Recent development of two-dimensional layered materials including graphene-family and related nanomaterials have arisen as potential game changer for energy, water and sensing applications. While graphene is a form of carbon arranged hexagonally within atomic thin sheet, MoS2 is becoming a popular, efficient, and cost-effective catalyst for electrochemical energy devices, in contrast to expensive platinum and palladium catalysts. In this work, we electrochemically desulfurize few-layer molybdenum disulfide (MoS2) and aerogels with reduced graphene oxide (rGO) prepared under hydrothermal conditions ((P< 20 bar, T< 200 oC), for improving hydrogen evolution reaction (HER) activity via point defects (S-vacancy). Moreover, the interactions between rGO and ...


Physical Properties Of Engineered Nanocomposites For Defense Applications, Alex Henson, Sanju Gupta Nov 2018

Physical Properties Of Engineered Nanocomposites For Defense Applications, Alex Henson, Sanju Gupta

Posters-at-the-Capitol

Polymer nanocomposites are significant for modern and future technologies (aerospace, defense, water purification etc.) due to their tailored properties, lightweight and low cost. However, ‘forward’ engineered polymer (host matrix) composites with smaller size nanoparticles (guest) providing desired properties targeting specific applications remains a challenging task as they depend largely on nanoparticles size, shape and loading (volume fraction). This study develops polymer nanocomposites impregnated with ‘organic-inorganic’ silsesquioxane nanoparticles and graphene nanoribbons, and investigates microscopic structure and dynamics of interfacial layer to predict macroscale properties. The nanocomposites consist of poly(2-vinylpyridine) (P2VP) polymer (segment ~5nm) with spherical silsesquioxane nanoparticles (diameter ~2-5nm) and ...


Reverse-Engineering Of Graphene On Metal Surfaces: A Case Study Of Embedded Ruthenium, Ann Lii-Rosales, Yong Han, Ka Man Yu, Dapeng Jing, Nathaniel Anderson, David Vaknin, Michael C. Tringides, James W. Evans, Michael S. Altman, Patricia A. Thiel Oct 2018

Reverse-Engineering Of Graphene On Metal Surfaces: A Case Study Of Embedded Ruthenium, Ann Lii-Rosales, Yong Han, Ka Man Yu, Dapeng Jing, Nathaniel Anderson, David Vaknin, Michael C. Tringides, James W. Evans, Michael S. Altman, Patricia A. Thiel

Chemistry Publications

Using scanning tunneling microscopy, x-ray photoelectron spectroscopy, and x-ray absorption spectroscopy, we show that Ru forms metallic nanoislands on graphite, covered by a graphene monolayer. These islands are air-stable, contain 2–4 layers of Ru, and have diameters on the order of 10 nm. To produce these nanoislands two conditions must be met during synthesis. The graphite surface must be ion-bombarded, and subsequently held at an elevated temperature (1000–1180 K) during Ru deposition. A coincidence lattice forms between the graphene overlayer and the Ru island top. Its characteristics—coincidence lattice constant, corrugation amplitude, and variation of carbon lattice appearance ...


No2- And No3- Enhance Cold Atmospheric Plasma Induced Cancer Cell Death By Generation Of Onoo-, Dehui Xu, Qingjie Cui, Yujing Xu, Zhijie Liu, Zeyu Chen, Wenjie Xia, Hao Zhang, Dingxin Liu, Hailan Chen, Michael G. Kong Oct 2018

No2- And No3- Enhance Cold Atmospheric Plasma Induced Cancer Cell Death By Generation Of Onoo-, Dehui Xu, Qingjie Cui, Yujing Xu, Zhijie Liu, Zeyu Chen, Wenjie Xia, Hao Zhang, Dingxin Liu, Hailan Chen, Michael G. Kong

Bioelectrics Publications

Cold atmospheric plasma (CAP) is a rapidly developed technology that has been widely applied in biomedicine especially in cancer treatment. Due to the generation of various active species in plasma, CAP could induce various tumor cells death and showed a promising potential in cancer therapy. To enhance the biological effects of gas plasma, changing the discharging parameters is the most commonly used method, yet increasing discharging power will lead to a higher possibility of simultaneously damage surrounding tissues. In this study, by adding nontoxic concentration of additional nitrite and nitrate in the medium, we found that anti-tumor effect of CAP ...


Growing Signals From The Noise: Challenging Nuclei In Materials Dnp, Frédéric A. Perras, Takeshi Kobayashi, Marek Pruski Sep 2018

Growing Signals From The Noise: Challenging Nuclei In Materials Dnp, Frédéric A. Perras, Takeshi Kobayashi, Marek Pruski

Ames Laboratory Accepted Manuscripts

The polarization of nuclear spins by dynamic nuclear polarization (DNP) has redefined the sensitivity limits of solid‐state (SS) NMR spectroscopy. Materials science has been arguably one of the key beneficiaries of the recent remarkable advances of the technique, which included low‐temperature magic angle spinning (MAS), modern gyrotrons, and biradical agents for polarization transfer via the cross‐effect. In many classes of materials, DNP offers the capability of selectively sensitizing progressively smaller surface and interfacial regions of materials and eliciting responses from previously undetectable nuclei, with no detrimental effect on resolution. We review the most recent applications of DNP ...


Finite-Size Effects In Metasurface Lasers Based On Resonant Dark States, Sotiris Droulias, Thomas Koschny, Costas M. Soukoulis Aug 2018

Finite-Size Effects In Metasurface Lasers Based On Resonant Dark States, Sotiris Droulias, Thomas Koschny, Costas M. Soukoulis

Ames Laboratory Accepted Manuscripts

The quest for subwavelength coherent light sources has recently led to the exploration of dark-mode based surface lasers, which allow for independent adjustment of the lasing state and its coherent radiation output. To understand how this unique design performs in real experiments, we need to consider systems of finite size and quantify finite-size effects not present in the infinite dark-mode surface laser model. Here we find that, depending on the size of the system, distinct and even counterintuitive behavior of the lasing state is possible, determined by a balanced competition between multiple loss channels, including dissipation, intentional out-coupling of coherent ...


Potential Of Mean Force For Two Nanocrystals: Core Geometry And Size, Hydrocarbon Unsaturation, And Universality With Respect To The Force Field, Curt Waltmann, Nathan Horst, Alex Travesset Jul 2018

Potential Of Mean Force For Two Nanocrystals: Core Geometry And Size, Hydrocarbon Unsaturation, And Universality With Respect To The Force Field, Curt Waltmann, Nathan Horst, Alex Travesset

Ames Laboratory Accepted Manuscripts

We present a detailed analysis of the interaction between two nanocrystals capped with ligands consisting of hydrocarbon chains by united atom molecular dynamics simulations. We analyze large cores (up to 10 nm in diameter) and ligands with unsaturated carbon bonds (oleic acid) and we investigate the accuracy of the computed potential of mean force by comparing different force fields. We also analyze the vortices that determine the bonding, including the case of asymmetric nanocrystals, and discuss effects related to the intrinsic anisotropy of the core. Overall our results are in agreement with the predictions of the recently proposed orbifold topological ...


Investigation Of The Acoustic Response Of A Confined Mesoscopic Water Film Utilizing A Combined Atomic Force Microscope And Shear Force Microscope Technique, Monte Allen Kozell Jul 2018

Investigation Of The Acoustic Response Of A Confined Mesoscopic Water Film Utilizing A Combined Atomic Force Microscope And Shear Force Microscope Technique, Monte Allen Kozell

Dissertations and Theses

An atomic force microscopy beam-like cantilever is combined with an electrical tuning fork to form a shear force probe that is capable of generating an acoustic response from the mesoscopic water layer under ambient conditions while simultaneously monitoring force applied in the normal direction and the electrical response of the tuning fork shear force probe. Two shear force probes were designed and fabricated. A gallium ion beam was used to deposit carbon as a probe material. The carbon probe material was characterized using energy dispersive x-ray spectroscopy and scanning transmission electron microscopy. The probes were experimentally validated by demonstrating the ...


Two-Dimensional Crystallization Of Poly(N-Isopropylacrylamide)-Capped Gold Nanoparticles, Wenjie Wang, Jack J. Lawrence, Wei Bu, Honghu Zhang, David Vaknin Jun 2018

Two-Dimensional Crystallization Of Poly(N-Isopropylacrylamide)-Capped Gold Nanoparticles, Wenjie Wang, Jack J. Lawrence, Wei Bu, Honghu Zhang, David Vaknin

Ames Laboratory Accepted Manuscripts

Surface-sensitive X-ray reflectivity and grazing incidence small-angle X-ray scattering reveal the structure of polymer-capped-gold nanoparticles (AuNPs that are grafted with poly(N-isopropylacrylamide); PNIPAM–AuNPs) as they self-assemble and crystallize at the aqueous suspension/vapor interface. Citrate-stabilized AuNPs (5 and 10 nm in nominal diameter) are ligand-exchanged by 6 kDa PNIPAM-thiol to form corona brushes around the AuNPs that are highly stable and dispersed in aqueous suspensions. Surprisingly, no clear evidence of thermosensitive effect on surface enrichment or self-assembly of the PNIPAM–AuNPs is observed in the 10–35 °C temperature range. However, addition of simple salts (in this case ...


Tailoring Bandgap Of Perovskite Batio3 By Transition Metals Co-Doping For Visible-Light Photoelectrical Applications: A First-Principles Study, Fan Yang, Liang Yang, Changzhi Ai, Pengcheng Xie, Shiwei Lin, Cai-Zhuang Wang, Xihong Lu Jun 2018

Tailoring Bandgap Of Perovskite Batio3 By Transition Metals Co-Doping For Visible-Light Photoelectrical Applications: A First-Principles Study, Fan Yang, Liang Yang, Changzhi Ai, Pengcheng Xie, Shiwei Lin, Cai-Zhuang Wang, Xihong Lu

Ames Laboratory Accepted Manuscripts

The physical and chemical properties of V-M″ and Nb-M″ (M″ is 3d or 4d transition metal) co-doped BaTiO3were studied by first-principles calculation based on density functional theory. Our calculation results show that V-M″ co-doping is more favorable than Nb-M″ co-doping in terms of narrowing the bandgap and increasing the visible-light absorption. In pure BaTiO3, the bandgap depends on the energy levels of the Ti 3d and O 2p states. The appropriate co-doping can effectively manipulate the bandgap by introducing new energy levels interacting with those of the pure BaTiO3. The optimal co-doping effect comes from the ...


Probing Magnetism In 2d Van Der Waals Crystalline Insulators Via Electron Tunneling, D. R. Klein, D. Macneill, J. L. Lado, D. Soriano, E. Navarro-Moratalla, K. Watanabe, T. Taniguchi, S. Manni, Paul C. Canfield, J. Fernández-Rossier, P. Jarillo-Herrero Jun 2018

Probing Magnetism In 2d Van Der Waals Crystalline Insulators Via Electron Tunneling, D. R. Klein, D. Macneill, J. L. Lado, D. Soriano, E. Navarro-Moratalla, K. Watanabe, T. Taniguchi, S. Manni, Paul C. Canfield, J. Fernández-Rossier, P. Jarillo-Herrero

Ames Laboratory Accepted Manuscripts

Magnetic insulators are a key resource for next-generation spintronic and topological devices. The family of layered metal halides promises varied magnetic states, including ultrathin insulating multiferroics, spin liquids, and ferromagnets, but device-oriented characterization methods are needed to unlock their potential. Here, we report tunneling through the layered magnetic insulator CrI3 as a function of temperature and applied magnetic field. We electrically detect the magnetic ground state and interlayer coupling and observe a field-induced metamagnetic transition. The metamagnetic transition results in magnetoresistances of 95, 300, and 550% for bilayer, trilayer, and tetralayer CrI3 barriers, respectively. We further measure inelastic tunneling spectra ...


Many Body Effects And Icosahedral Order In Superlattice Self-Assembly, Tommy Waltmann, Curt Waltmann, Nathan Horst, Alex Travesset Jun 2018

Many Body Effects And Icosahedral Order In Superlattice Self-Assembly, Tommy Waltmann, Curt Waltmann, Nathan Horst, Alex Travesset

Ames Laboratory Accepted Manuscripts

We elucidate how nanocrystals “bond” to form ordered structures. For that purpose we consider nanocrystal configurations consisting of regular polygons and polyhedra, which are the motifs that constitute single component and binary nanocrystal superlattices, and simulate them using united atom models. We compute the free energy and quantify many body effects, i.e., those that cannot be accounted for by pair potential (two-body) interactions, further showing that they arise from coalescing vortices of capping ligands. We find that such vortex textures exist for configurations with local coordination number ≤6. For higher coordination numbers, vortices are expelled and nanocrystals arrange in ...