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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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At least 631 records · Page 35
All sourcesNASA NTRSDOE OSTI
DOE OSTI2021

Understanding, quantifying, and controlling the molecular ordering of semiconducting polymers: from novices to experts and amorphous to perfect crystals

Molecular packing and texture of semiconducting polymers are often critical to the performance of devices using these materials. Although frameworks exist to quantify the ordering, interpretations are often just qualitative, resulting in imprecise use of terminology. Here, we reemphasize the significance of quantifying molecular ordering in terms of degree of crystallinity (volume fractions that are ordered) and quality of ordering and their relation to the size scale of an ordered region. We are motivated in part by our own imprecise and inconsistent use of terminology in the past, as well as the need to have a primer or tutorial reference to teach new group members. We strive to develop and use consistent terminology with regards to crystallinity, semicrystallinity, paracrystallinity, and related characteristics. To account for vastly different quality of ordering along different directions, we classify paracrystals into 2D and 3D paracrystals and use paracrystallite to describe the spatial extent of molecular ordering in 1–10 nm. We show that a deeper understanding of molecular ordering can be achieved by combining grazing-incidence wide-angle X-ray scattering and differential scanning calorimetry, even though not all aspects of these measurements are consistent, and some classification appears to be method dependent. We classify a broad range of representative polymers under common processing conditions into five categories based on the quantitative analysis of the paracrystalline disorder parameter (g) and thermal transitions. A small database is presented for 13 representative conjugated and insulating polymers ranging from amorphous to semi-paracrystalline. Lastly, we outline the challenges to rationally design more perfect polymer crystals and propose a new molecular design approach that envisions conceptual molecular grafting that is akin to strained and unstrained hetero-epitaxy in classic (compound) semiconductors thin film growth.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Understanding, discovery, and synthesis of 2D materials enabled by machine learning

Machine learning (ML) is becoming an effective tool for studying 2D materials. Taking as input computed or experimental materials data, ML algorithms predict the structural, electronic, mechanical, and chemical properties of 2D materials that have yet to be discovered. Such predictions expand investigations on how to synthesize 2D materials and use them in various applications, as well as greatly reduce the time and cost to discover and understand 2D materials. This tutorial review focuses on the understanding, discovery, and synthesis of 2D materials enabled by or benefiting from various ML techniques. Here, we introduce the most recent efforts to adopt ML in various fields of study regarding 2D materials and provide an outlook for future research opportunities. The adoption of ML is anticipated to accelerate and transform the study of 2D materials and their heterostructures.

2D Materials↗
DOE OSTI2021

Compartmentalisation of molecular catalysts for nonorthogonal tandem catalysis

The development of nonorthogonal tandem catalysis enables the use of a combination of arbitrary catalysts to rapidly synthesize complex products in a substainable, efficient, and timely manner. The key is to compartmentalise the molecular catalysts, thereby overcoming inherent incompatibilities between individual catalysts or reaction conditions. This tutorial review analyses the development of the past two decades in the field of nonorthogonal tandem catalysis with an emphasis on compartmentalisation strategies. Here, we highlight design principles of functional materials for compartmentalisation and suggest future directions in the field of nonorthogonal tandem catalysis.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2021

From bulk to interface: electrochemical phenomena and mechanism studies in batteries via electrochemical quartz crystal microbalance

Understanding the bulk and interfacial behaviors during the operation of batteries (e.g., Li-ion, Na-ion, Li–O 2 batteries, etc.) is of great significance for the continuing improvement of the performance. Electrochemical quartz crystal microbalance (EQCM) is a powerful tool to this end, as it enables in situ investigation into various phenomena, including ion insertion/deinsertion within electrodes, solid nucleation from the electrolyte, interphasial formation/evolution and solid–liquid coordination. As such, EQCM analysis helps to decipher the underlying mechanisms both in the bulk and at the interface. This tutorial review will present the recent progress in mechanistic studies of batteries achieved by the EQCM technology. Here, the fundamentals and unique capability of EQCM are first discussed and compared with other techniques, and then the combination of EQCM with other in situ techniques is also covered. In addition, the recent studies utilizing EQCM technologies in revealing phenomena and mechanisms of various batteries are reviewed. Perspectives regarding the future application of EQCM in battery studies are given at the end.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2026

A fresh perspective on the role of band bending, and related contributors, in light-driven production of electricity and chemicals

It is widely known that semiconductor-based solar energy conversion could power our planet. This is in part because high-quality semiconductor structures are unrivalled in their ability to separate photogenerated electrons and holes. One effective approach to achieving this photoinduced charge separation relies on a phenomenon known as “band bending”. But details to justify why band bending results in photoinduced charge separation are more complex than often appreciated. This underappreciation is an impediment to the rational, hypothesis-driven design of next-generation approaches to solar energy conversion. Herein we show, by means of derivations rooted in physical chemistry, that several phenomena – not just band bending – can facilitate photoinduced charge separation, and that each is influenced by nonequilibrium species concentration and a parameter, such as diffusion coefficient or rate coefficient, that introduces dynamics. To help visualize the impact of each phenomenon, we introduce plots that depict their contributions as free energy, force, flux, force constant, and rate. We reveal that spatial dopant distributions that define band bending are predictors of initial photogenerated species transport rates. But charge separation alone does not guarantee high-efficiency operation. A photogenerated change in energy that is freely available to do useful work is also essential, and is strongly dependent on semiconductor optical properties and reaction kinetics. Notably, this information reveals that specificity of interfacial chemical reactions – even when they are not preceded by charge separation elsewhere – can result in efficient solar energy conversion. We expect that this tutorial will guide researchers in their pursuit to uncover new mechanisms for light to perform useful work.

14 SOLAR ENERGY↗
DOE OSTI2026

Optimal experimental design using eigenvalue-based criteria with Pyomo.DoE

New developments in automated optimal experimental design within the PSE+ software ecosystem. Advancements in user experience (to reduce the time taken to perform optimal experiment design) and computational capabilities (allowing more diverse experimental design) are shown with an example relevant to critical minerals and materials. Also, a small tutorial on science-based optimal experimental design and novel contributions therein are presented.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2010

Transfer-matrix-based method for an analytical description of velocity-map-imaging spectrometers

We propose a simple and general analytical model describing the operation of a velocity-map-imaging spectrometer. We show that such a spectrometer, possibly equipped with a magnifying lens, can be efficiently modeled by combining analytical expressions for the axial potential distributions along with a transfer matrix method. The model leads transparently to the prediction of the instrument's operating conditions as well as to its resolution. A photoelectron velocity-map-imaging spectrometer with a magnifying lens, built and operated along the lines suggested by the model has been successfully employed for recording images at threshold photoionization of atomic lithium. The model's reliability is demonstrated by the fairly good agreement between experimental results and calculations. Finally, the limitations of the analytical method along with possible generalizations, extensions, and potential applications are also discussed. The model may serve as a guide for users interested in building and operating such spectrometers as well as a tutorial tool.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2010

Improving Students' Understanding of Quantum Measurement

We describe the difficulties advanced undergraduate and graduate students have with quantum measurement. To reduce these difficulties, we have developed research-based learning tools such as the Quantum Interactive Learning Tutorial (QuILT) and peer instruction tools. A preliminary evaluation shows that these learning tools are effective in improving students' understanding of concepts related to quantum measurement.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2010

Overview of Photoinjectors

High-brightness electron beam sources play a crucial role in many advanced acceleration schemes as well as linac-based light sources such as Energy Recovery Linac (ERL) based light sources and FELs. Three varieties electron sources (photo, thermionic, and field emission) the photoinjector is especially attractive due to its innate ability to control the time structure of intense electron bunches with low transverse and longitudinal emittance. In all cases, the quality of the bunch begins with the intrinsic emittance and time response of the photocathode, and we discuss the trade-offs involved between the various material choices. A variety of longitudinal laser pulse-shaping techniques are currently being developed to linearize space charge forces or create trains of ultra-short bunches. The emittance compensation technique mitigates the growth of the projected emittance due to the linear space charge force while the bunch is accelerated and compressed in an injector. While the normal conducting rf photoinjector is the workhorse of this field, the dc photoinjector is being pushed to its high-voltage limits, and the year 2010 promises to be a critical year for the superconducting rf photoinjector. Parallel to the development of the hardware, rapid progress has also been made with modeling codes, theory, and bench marking of diagnostics. We attempt to give both a tutorial of photoinjectors and a review of the current state of the art in this rapidly developing field.

43 PARTICLE ACCELERATORS↗
DOE OSTI2011

Preface to ISIF 2009 special issue of Journal of Applied Physics : science and technology of integrated functionalities.

The science and technology of ferroelectric thin films and their applications have attracted many researchers and experienced tremendous progress in the past 20 years. The recent worldwide increase in commercial applications of ferroelectric devices such as smart cards based on nonvolatile ferroelectric random access memories is a symbol of both the maturity and the acceptance of the technology. The 21st International Symposium on Integrated Ferroelectrics (ISIF 2009), held on September 22 to October 2, 2009 in Colorado Springs, CO, provided a forum for the academic and national laboratories research community and industry to present and share their new findings, achievements, and opinions on integrated ferroelectrics and their applications. The International Symposium on Integrated Ferroelectrics hosted the ISIF 2009. This was the first year where the ISIF held the conference in its new format under the name of International Symposium on Integrated Functionalities. The General Chairs of the ISIF in consultation with the Advisory Board and the ISIF community decided to revise the focus of the conference in order to broaden the scope to the science and technology of multifunctional materials and devices. This decision was taken in view that a new paradigm in materials, materials integration, and devices is emerging with a view to the development of a new generation of micro- and nanoscale multifunctional devices. The program included three plenary presentations on diverse topics such as 'The Role of Nonvolatile Memory in Ubiquitous Computing,' 'Ferroelectrics and High Density Memory Technology,' 'Nanoscale Ferroelectrics and Interfaces: Size Effects,' four tutorial lectures on diverse topics, such as 'Magnetic Memory Applications,' 'Ferroelectrics and Ferroelectric Devices,' 'Challenges for High-K Dielectrics on High Mobility Channels,' 'Solar Cell Materials,' one poster session, and eight oral sessions. Thanks to the great efforts made by the ISIF organization committee and the session chairs, the conference successfully achieved its objectives and the work presented reflected very well the most recent advances of integrated ferroelectrics and their applications, as well as advances in other areas related to the new theme of Integrated Functionalities. Many aspects of ferroelectric, piezoelectric, high-K dielectric, magnetic, and phase change materials, including the science and technology of these materials in thin film form, integration with other thin film materials (metals or oxide electrodes), and fabrication of micro- and nanostructures based on these heterostructure layers, and device architecture and physics, were addressed from the experimental point of view. Work on theory and computer simulations of the mentioned materials and devices were discussed also with a view to the promising applications to multifunctional devices. In addition, the ISIF 2009 featured discussions of alternative nonvolatile memory concepts and materials, such as phase change memories, research on multiferroics and magnetoelectric materials, ferroelectric photovoltaics, and new directions on the science of perovskites such as biomolecular/polarizable interfaces, and bio-ferroelectric and other oxide interfaces. Following the standard submission and peer review process of Journal of Applied Physics, the selected papers presented in ISIF 2009 in Colorado Springs are published in this special issue. We believe that the papers in this special issue represent the forefront contributions to ISIF 2009 in the various areas of fundamental and applied science of integrated ferroelectrics and functionalities and their applications. We would like to take this opportunity to thank the following organizations and companies for their support and sponsorship for ISIF 2009, namely: Aixact Systems GMBH, Radiant Technologies, Symetrix Corporation, and Taylor and Francis Publishers. We would also like to thank the conference and session chairs, advisory and organizing committee members for their hard work that resulted in a very successful ISIF 2009, now in its new future-looking modality of Integrated Functionalities.

36 MATERIALS SCIENCE↗
DOE OSTI2011

Magneto-hydrodynamically stable axisymmetric mirrors

Making axisymmetric mirrors magnetohydrodynamically (MHD) stable opens up exciting opportunities for using mirror devices as neutron sources, fusion-fission hybrids, and pure-fusion reactors. This is also of interest from a general physics standpoint (as it seemingly contradicts well-established criteria of curvature-driven instabilities). The axial symmetry allows for much simpler and more reliable designs of mirror-based fusion facilities than the well-known quadrupole mirror configurations. In this tutorial, after a summary of classical results, several techniques for achieving MHD stabilization of the axisymmetric mirrors are considered, in particular: (1) employing the favorable field-line curvature in the end tanks; (2) using the line-tying effect; (3) controlling the radial potential distribution; (4) imposing a divertor configuration on the solenoidal magnetic field; and (5) affecting the plasma dynamics by the ponderomotive force. Some illuminative theoretical approaches for understanding axisymmetric mirror stability are described. The applicability of the various stabilization techniques to axisymmetric mirrors as neutron sources, hybrids, and pure-fusion reactors are discussed; and the constraints on the plasma parameters are formulated.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2013

Foreword to Special Issue: Papers from the 54th Annual Meeting of the APS Division of Plasma Physics, Providence, Rhode Island, USA, 2012

Each year, the annual meeting of the APS Division of Plasma Physics (DPP) brings together a broad representation of the many active subfields of plasma physics and enjoys an audience that is equally diverse. The meeting was well attended and largely went as planned despite the interventions of hurricane Sandy which caused the city of Providence to shut-down during the first day of the conference. The meeting began on Monday morning with a review of the physics of cosmic rays, 2012 being the 100th year since their discovery, which illustrated the central importance of plasma physics to astrophysical problems. Subsequent reviews covered the importance of tokamak plasma boundaries, progress towards ignition on the National Ignition Facility (NIF), and magnetized plasma turbulence. The Maxwell prize address, by Professor Liu Chen, covered the field of nonlinear Alfvén wave physics. Tutorial lectures were presented on the verification of gyrokinetics, new capabilities in laboratory astrophysics, magnetic flux compression, and tokamak plasma start-up.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2014

Real-space Berry phases: Skyrmion soccer (invited)

Berry phases occur when a system adiabatically evolves along a closed curve in parameter space. This tutorial-like article focuses on Berry phases accumulated in real space. In particular, we consider the situation where an electron traverses a smooth magnetic structure, while its magnetic moment adjusts to the local magnetization direction. Mapping the adiabatic physics to an effective problem in terms of emergent fields reveals that certain magnetic textures, skyrmions, are tailormade to study these Berry phase effects.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2015

Whistlers, helicons, and lower hybrid waves: The physics of radio frequency wave propagation and absorption for current drive via Landau damping

This introductory-level tutorial article describes the application of plasma waves in the lower hybrid range of frequencies (LHRF) for current drive in tokamaks. Wave damping mechanisms in a nearly collisionless hot magnetized plasma are briefly described, and the connections between the properties of the damping mechanisms and the optimal choices of wave properties (mode, frequency, wavelength) are explored. The two wave modes available for current drive in the LHRF are described and compared. The terms applied to these waves in different applications of plasma physics are elucidated. The character of the ray paths of these waves in the LHRF is illustrated in slab and toroidal geometries. Applications of these ideas to experiments in the DIII-D tokamak are discussed.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2016

Invited Review Article: Pump-probe microscopy

Multiphoton microscopy has rapidly gained popularity in biomedical imaging and materials science because of its ability to provide three-dimensional images at high spatial and temporal resolution even in optically scattering environments. Currently the majority of commercial and home-built devices are based on two-photon fluorescence and harmonic generation contrast. These two contrast mechanisms are relatively easy to measure but can access only a limited range of endogenous targets. Recent developments in fast laser pulse generation, pulse shaping, and detection technology have made accessible a wide range of optical contrasts that utilize multiple pulses of different colors. Molecular excitation with multiple pulses offers a large number of adjustable parameters. For example, in two-pulse pump-probe microscopy, one can vary the wavelength of each excitation pulse, the detection wavelength, the timing between the excitation pulses, and the detection gating window after excitation. Such a large parameter space can provide much greater molecular specificity than existing single-color techniques and allow for structural and functional imaging without the need for exogenous dyes and labels, which might interfere with the system under study. In this review, we provide a tutorial overview, covering principles of pump-probe microscopy and experimental setup, challenges associated with signal detection and data processing, and an overview of applications.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2016

Two decades of progress in understanding and control of laser plasma instabilities in indirect drive inertial fusion

Our understanding of laser-plasma instability (LPI) physics has improved dramatically over the past two decades through advancements in experimental techniques, diagnostics, and theoretical and modeling approaches. We have progressed from single-beam experiments—ns pulses with ~kJ energy incident on hundred-micron-scale target plasmas with ~keV electron temperatures—to ones involving nearly 2 MJ energy in 192 beams onto multi-mm-scale plasmas with temperatures ~4 keV. At the same time, we have also been able to use smaller-scale laser facilities to substantially improve our understanding of LPI physics and evaluate novel approaches to their control. These efforts have led to a change in paradigm for LPI research, ushering in an era of engineering LPI to accomplish specific objectives, from tuning capsule implosion symmetry to fixing nonlinear saturation of LPI processes at acceptable levels to enable the exploration of high energy density physics in novel plasma regimes. A tutorial is provided that reviews the progress in the field from the vantage of the foundational LPI experimental results. The pedagogical framework of the simplest models of LPI will be employed, but attention will also be paid to settings where more sophisticated models are needed to understand the observations. Prospects for the application of our improved understanding for inertial fusion (both indirect- and direct-drive) and other applications will also be discussed.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗