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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 127 records · Page 7

Iridium Atoms Bonded to Crystalline Powder MgO: Characterization by Imaging and Spectroscopy

Samples with low loadings of metals on well-defined supports provide some of the best opportunities to determine the metal–support structure and bonding. We illustrate methods for characterizing atomically dispersed heavy metals on metal oxide supports by aberration-corrected scanning transmission electron microscopy (STEM) complemented by fluorescence detection extended X-ray absorption fine structure and infrared spectroscopies. STEM images of Ir atoms derived from Ir(C 2 H 4 ) 2 (acac) (acac = acetylacetonato) on high-surface-area MgO powder were obtained with minimized electron beam damage by quickly recording images near where the focus had been established. The images show that iridium at a loading of 1.0 wt % on MgO calcined at 1073 K was atomically dispersed, populating much of the surface of the MgO particles, which had irregular shapes—consequently the Ir atoms were bonded at various sites to two or three surface O atoms. In contrast, MgO calcined at 1273 K consisted of almost perfectly cubic crystals, and Ir atoms at a loading of only 0.01 wt % on this nearly ideal support were anchored preferentially at edges and corners of the (100) faces and bonded to three surface O atoms. The latter results indicate a path forward for the determination of precise structures of atomically dispersed metals on crystalline metal oxide supports.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Understanding Monsoonal Water Cycle Changes in a Warmer Climate in E3SMv1 Using a Normalized Gross Moist Stability Framework

Abstract One of the grand challenges of climate science is understanding the changes of the tropical rain belts and monsoon systems owing to CO 2 ‐induced warming. A promising path forward links the fluxes of energy and moisture to tropical circulation features. To this end, we make use of the Energy Exascale Earth System Model version 1, where the divergence of moist static energy and moisture have been calculated online, and employ a normalized gross moist stability (NGMS) diagnostic framework to understand the linkages between changes in the flow of energy and moisture within the monsoons. We focus on the Asian Summer Monsoon system and utilize a series of atmosphere‐land and atmosphere‐land‐ocean simulations to understand the connection between fluxes and monsoons. Uncoupled simulations with prescribed sea surface temperatures indicate that decreases in NGMS over land are important in explaining precipitation increases in response to both sea surface temperature and CO 2 increases. In fully coupled experiments, NGMS decreases remain an important contributor to the increase in P‐E, but the coupled simulations highlight the importance of consistent ocean and land responses in interpreting the monsoon changes. This study indicates that transient eddy fluxes play an important role in NGMS decreases and that a time‐mean view of the monsoon circulations is insufficient to quantify the link between future changes in the fluxes of energy and moisture. Compensation between dynamic and thermodynamic components of vertical moist static energy advection occurs, with the thermodynamic contribution dominating. The compensation is shown to be sensitive to relative humidity, with higher relative humidity leading to a stronger thermodynamic component.

Harrop, Bryce E.↗

Spectral induced polarization monitoring of induced calcite precipitation in subsurface sediments

Co-precipitation of contaminants within the crystalline structure of calcite is a promising natural attenuation or remedial technology being considered at contaminated sites. We explore the sensitivity of the spectral induced polarization (SIP) method to induced calcite precipitation in natural sediments as a path forward to non-invasively monitor these sites. We performed time-lapse column experiments using phased (I-IV) injections over 40 days on natural sediments from the Hanford Site (Washington State, USA). In the phased injections, abiotic calcite precipitation was induced and confirmed to have occurred. Previous work in glass beads and homogeneous sand was limited to high frequency detection of calcite, however in this work we observed the development of two polarization mechanisms, one at high frequency (>100 Hz) and one at low frequency (< 100 Hz). Based on the characteristic frequencies from the SIP high and low frequency regimes, characteristic length scales (L) were computed where the adsorption mode of Na+ versus Ca2+ was compared by using diffusion coefficients corresponding to Na+ versus an arithmetically averaged value for Na+ and Ca2+. Using the diffusion coefficient of Na+, the high frequency L was found to correlate well with the size of the calcite crystals. The low frequency L correlated well with the individual natural sediment grain sizes within the columns. During late experimental times (day 36 and 40), the characteristic low frequency in two of the experimental columns shifted to lower frequencies (<0.001 Hz) which may signify SIP sensitivity of the formed calcite with the sediment grains. In field applications, the development of a low frequency polarization length scale to monitor calcite precipitation is promising for field monitoring applications, however further laboratory work needs to be performed to examine the SIP sensitivity of calcite formation in the presence of to natural sediments

calcium carbonate, calcite, precipitation, spectra↗

Review of the National Ignition Campaign 2009-2012

The National Ignition Campaign (NIC) was a multi-institution effort established under the National Nuclear Security Administration of DOE in 2005, prior to the completion of the National Ignition Facility (NIF) in 2009. The scope of the NIC was the planning and preparation for and the execution of the first 3 yr of ignition experiments (through the end of September 2012) as well as the development, fielding, qualification, and integration of the wide range of capabilities required for ignition. Besides the operation and optimization of the use of NIF, these capabilities included over 50 optical, x-ray, and nuclear diagnostic systems, target fabrication facilities, experimental platforms, and a wide range of NIF facility infrastructure. The goal of ignition experiments on the NIF is to achieve, for the first time, ignition and thermonuclear burn in the laboratory via inertial confinement fusion and to develop a platform for ignition and high energy density applications on the NIF. The goal of the NIC was to develop and integrate all of the capabilities required for a precision ignition campaign and, if possible, to demonstrate ignition and gain by the end of FY12. The goal of achieving ignition can be divided into three main challenges. The first challenge is defining specifications for the target, laser, and diagnostics with the understanding that not all ignition physics is fully understood and not all material properties are known. The second challenge is designing experiments to systematically remove these uncertainties. The third challenge is translating these experimental results into metrics designed to determine how well the experimental implosions have performed relative to expectations and requirements and to advance those metrics toward the conditions required for ignition. This paper summarizes the approach taken to address these challenges, along with the progress achieved to date and the challenges that remain. At project completion in 2009, NIF lacked almost all the diagnostics and infrastructure required for ignition experiments. About half of the 3 yr period covered in this review was taken up by the effort required to install and performance qualify the equipment and experimental platforms needed for ignition experiments. Ignition on the NIF is a grand challenge undertaking and the results presented here represent a snapshot in time on the path toward that goal. The path forward presented at the end of this review summarizes plans for the Ignition Campaign on the NIF, which were adopted at the end of 2012, as well as some of the key results obtained since the end of the NIC.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Backpropagation-based learning with local derivative approximation and memory replay in biologically plausible neural systems

When learning, the brain modifies individual synaptic connections to reach a desired behavior. Animal and human brains have been shown to be incredibly capable of learning complex and varied functions across a wide variety of tasks. In recent years, artificial neural networks, inspired by human and animal brains, have shown great capabilities in learning a wide variety of difficult tasks. However, artificial neural networks primarily teach themselves through the use of backpropagation, a learning method which has no clear analogue within the brain. Additionally, Artificial Neural Networks primarily use continuous activation functions, which differ significantly from the spiking neuronal behavior present in the brain. In this paper, we discuss and demonstrate a biologically plausible learning method that approximates backpropagation through two techniques on Spiking Neural Networks. First, we show that the local temporal derivatives that are necessary for backpropagation can be approximately recovered through reconstruction using spike timings. Second, we show that through learning during a sleep phase, inspired by neuroscience research into memory replay, the localized parallel feedback path can learn to approximate the derivative through the forward path weight matrix, thus solving the weight transport problem. Lastly, we demonstrate that the combination of these two methods can approach or exceed the accuracy of backpropagation-based methods for a variety of neuromorphic vision tasks while maintaining biological plausibility.

42 ENGINEERING↗

ARPA-E: Guiding Technologies to Commercial Success

ARPA-E’s Technology-to-Market Advisors work closely with each ARPA-E project team to develop and execute a commercialization strategy. ARPA-E requires our teams to focus on their commercial path forward, because we understand that to have an impact on our energy mission, technologies must have a viable path into the marketplace. ARPA-E Senior Commercialization Advisor Dr. John Tuttle discusses what this Tech-to-Market guidance in practice looks like with reference to two project teams. OPEN 2012 awardees from Harvard University and Sunfolding share their stories of how ARPA-E worked with their teams to analyze market conditions and identify commercial opportunities that ultimately convinced them to pivot their technologies towards market applications with greater potential.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗

Turbulent Flow Simulation at the Exascale: Opportunities and Challenges Workshop: August 4-5, 2015, Washington, D.C.

This report details the impact exascale will bring to turbulent-flow simulations in applied science and technology. The need for accurate simulation of turbulent flows is evident across the DOE applied-science and engineering portfolios, including combustion, plasma physics, nuclear-reactor physics, wind energy, and atmospheric science. The workshop brought together experts in turbulent-flow simulation, computational mathematics, and high-performance computing. Building upon previous ASCR workshops on exascale computing, participants defined a research agenda and path forward that will enable scientists and engineers to continually leverage, engage, and direct advances in computational systems on the path to exascale computing.

97 MATHEMATICS AND COMPUTING↗

Outcomes from the DOE Workshop on Turbulent Flow Simulation at the Exascale

This paper summarizes the outcomes from the Turbulent Flow Simulation at the Exascale: Opportunities and Challenges Workshop, which was held 4-5 August 2015, and was sponsored by the U.S. Department of Energy Office of Advanced Scientific Computing Research. The workshop objective was to define and describe the challenges and opportunities that computing at the exascale will bring to turbulent-flow simulations in applied science and technology. The need for accurate simulation of turbulent flows is evident across the U.S. Department of Energy applied-science and engineering portfolios, including combustion, plasma physics, nuclear-reactor physics, wind energy, and atmospheric science. The workshop brought together experts in turbulent-flow simulation, computational mathematics, and high-performance computing. Building upon previous ASCR workshops on exascale computing, participants defined a research agenda and path forward that will enable scientists and engineers to continually leverage, engage, and direct advances in computational systems on the path to exascale computing.

97 MATHEMATICS AND COMPUTING↗

A deterministic method for PWR loading pattern optimization

A new deterministic approach to core loading optimization is presented. Selection of fuel enrichment and burnable poison (BP) arrangement in a pressurized water reactor (PWR) core are optimally determined subject to power peaking factor (PF) constraints. The deterministic approach is based on the method of Lagrange multipliers and the direct adjoining approach for the inequality power PF constraint. The optimality conditions are derived using calculus of variations resulting in the presence of jump conditions and a linear control Hamiltonian. The optimal control problems are addressed by simultaneously minimizing the Hamiltonian using the gradient method and performing Newton's method in different regions of the core to produce viable solutions for the controls. Without active control of the power profile in PWRs during depletion, our methodology is able to satisfy the power PF constraint at all times by proper loading selection at the beginning of cycle (BOC). This is achieved by promoting the proper burnup path forward in time during the calculation of the forward optimality conditions. Here this information is utilized in the adjoint burnup calculation, which acts to propagate the optimal control path back to the BOC during the calculation of the adjoint optimality conditions. The methodology has been developed into a new code DMCO (Deterministic Multi-Control Optimization) which can produce two-dimensional two-group depletion results in approximately seven minutes per optimization iteration on a personal computer. No application of heuristics is required and the code is capable of finding solutions from initial control distributions. A preliminary case study is presented for the Westinghouse AP600 first cycle fuel loading design which achieved an extended fuel cycle while satisfying power PF constraints.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗

Chemical Complexity Controls Energy Dissipation and Defect Evolution

The development of metallic alloys is arguably one of the oldest sciences, dating back at least 3,000 years. Most research and applications have been focused on alloys with comprised multiple phases with one or two dominant elements, to which the addition of alloying elements in low concentrations leads to various performance improvements and changes in radiation resistance. In sharp contrast to traditional alloys, recent success in the synthesis of single phase concentrated solid solution alloys (SP-CSAs) has opened up new frontiers in materials research. In these alloys, a random arrangement of multiple elemental species on a lattice (fcc or bcc) results in unique site-to-site lattice distortions and local disordered chemical environments. Intense radiation in nuclear fission and fusion energy power systems, nuclear waste forms, high-energy accelerators and space exploration transfers energy to the electrons and atoms that make up the material, and thereby produces defects that ultimately compromise material strength and lifetime. A grand challenge in materials research is to understand complex electronic correlations and non-equilibrium atomic interactions, and how such intrinsic properties and dynamic processes affect energy transfer and defect evolution in irradiated materials. Since SP-CSAs possess unique links between intrinsic material properties (can be altered by alloy complexity), energy dissipation and various defect dynamic processes; they are ideal systems to fill knowledge gaps between electronic- /atomic-level interactions and radiation resistance mechanisms. In our work, we show that chemical disorder and compositional complexity in SP-CSAs have an enormous impact on defect dynamics through substantial modification of energy dissipation pathways. Based on a closely integrated computational and experimental study using a novel set of Ni-based SP-CSAs, we have explicitly demonstrated that increasing chemical disorder can lead to a substantial reduction in the electron mean free path and electrical and thermal conductivity. These reductions have a significant impact on energy dissipation and consequentially on defect evolution during ion irradiation. Considerable enhancement in radiation resistance with increasing chemical complexity from pure nickel to binary, and to more complex quaternary solid solutions, is observed under ion irradiation. Contrary to conventional alloys with low solute concentration but multiple phases, energy dissipation and defect evolution at the level of electrons and atoms in SP- CSA systems with extreme compositional disorder is an unexplored frontier in materials science. The integrated experimental/modeling effort provides new insights into defect dynamics at the level of atoms and electrons, and an innovative path forward towards solving a long-standing challenge in structural materials. Increasing chemical complexity achieved orders-of-magnitude reductions in electron mean free paths and electron and thermal conductivities of alloys of NiCo, NiFe and NiCoFeCr, compared to Ni, and suppressed damage accumulation under ion irradiation. This discovery provides insights to address the grand challenge of understanding complex electronic correlations and non-equilibrium atomic interactions, and the effect of these intrinsic properties and dynamic processes on energy transfer and defect evolution in irradiated materials. Understanding how material properties and defect dynamics can be tailored by alloy complexity may pave the way for new design principles of functional alloys. (authors)

36 MATERIALS SCIENCE↗

Birefringent Glass‐Engraved Tilted Pillar Metasurfaces for High Power Laser Applications

Abstract Birefringent materials—which are highly needed in high power laser systems—may be limited in usage due to the laser‐induced damage threshold of traditional birefringent materials. This work reports here on all‐glass metasurfaces, fabricated by angled etching through sacrificial metal nanoparticle (NP) etching masks, for generation of effective birefringence in the formed layer. As a result, a fused silica metasurface, monolithic to the underlying substrate, is demonstrated to exhibit a birefringence of 6.57° under 375 nm illumination. Full‐wave analysis shows a good agreement with the measurement and presents potential paths forward to increasing the effective metasurface birefringence. This is the first demonstration, to the best of knowledge, of an etching technique to obtain the resulting tilted pillar‐like nanofeatures. The anisotropy of the metasurface nanoelements along the two window in‐plane major axes presents different effective paths for the two polarizations and thus generates birefringence in a nonbirefringent material. Additionally, the imparted anisotropy lends itself to manipulation of physical properties of the surface as well, with metasurface feature orientation suppressing water flow along one principal axis and giving rise to water flow steering capabilities.

36 MATERIALS SCIENCE↗

Targeted synthesis, characterization, and electrochemical analysis of transition-metal-oxide catalysts for the oxygen evolution reaction

Hydrogen fuel can be produced through the electrochemical splitting of water, an energy-intensive process that requires the use of electrocatalysts to be more efficient. Whereas current precious-metal-based electrocatalysts might be costly on a larger scale, transition-metal-oxide catalysts are more earth abundant and have shown promising activity. Here, the development and improvement of highly active transition-metal-oxide electrocatalysts is thus an important area of study where different catalyst enhancement strategies are used to drive the field forward. Additionally, transition-metal-oxide catalysts come in various different structures with their own advantages; thus, this review is focused on investigating the continuing field of transition-metal-oxide electrocatalysts of different structures and innovative methods of improving activity. By the end, new and promising paths forward in this field will be highlighted, particularly in the development of rock-salt oxides for the water-splitting system.

08 HYDROGEN↗

Assessment of Existing Synchrophasor Networks (Final, Version 0.5)

In 2007-09, DOE worked with NASPI to fund the development of an architecture framework for synchrophasor data networks. That “NASPInet” framework has been the prevailing guidance since that time, and various NASPInet elements were incorporated and tested in several of the SGIG synchrophasor projects. But the NASPInet framework is now outdated; synchrophasor technology has evolved; data volumes are increasing exponentially, and networking technology changes markedly every year. Many of the NASPInet design concepts remain useful, but implementations have fallen short; the NASPInet architecture must be sharpened and projected forward in terms of technology capability to enable the design and deployment of the next generation of synchrophasor data networks. The NASPInet 2.0 project is intended to update the NASPInet framework to address the new technology opportunities and needs for synchrophasor data networks. The main objectives of this project are to assess existing synchrophasor data networks, evaluate current and future networking technologies and synchrophasor network needs, perform a gap analysis, and recommend a path forward and specific technology and design recommendations for the next generation of synchrophasor data networks (henceforth to be called NASPInet 2.0).

97 MATHEMATICS AND COMPUTING↗

Spent Nuclear Fuel Exploratory Roadmaps - 20054

The U.S. Department of Energy manages nearly 2,500 metric tons of heavy metal (MTHM) of spent nuclear fuel (SNF) resulting from several decades of research, testing, and production reactors [DOE 1995]. This SNF is managed at the DOE Hanford Site in Washington State (Hanford), Idaho National Laboratory (INL), and Savannah River Site in South Carolina (SRS). From 1995 to 2004, the Department of Energy (DOE) made several key programmatic decisions, supported by appropriate documentation in accordance with the National Environmental Policy Act (NEPA) for the management of SNF [DOE 1995]. These decisions have provided an overarching framework for SNF management, as well as site-specific and SNF-related management decisions for the past two decades. In the years since these decisions were made, with the notable exception of the successful drying and packaging of the production reactor fuel at Hanford, a majority of the decisions have been largely unimplemented. Also, since these decisions were made, a number of changes that bear on considerations relative to the path forward have occurred. A SNF Exploratory Road map activity, identified reasonable alternate pathways for DoE's inventory of SNF. Three fundamental pathways were identified in this activity for the long-term management and disposition of DOE SNF: Direct Disposal Pathway, Existing Processing Pathway and Alternate Processing Pathway. Further actions would be required (e.g., evaluation of NEPA analysis, technology maturity evaluations, refinement of cost and risks, benefits and advantages relative to other alternate paths) to define and inform many key decisions that will result in the selection of the disposition pathways that are most beneficial to the US Government in dispositioning DoE's SNF inventory. DOE is currently managing all SNF safely; however, the age of DOE-owned SNF and facilities for storing and processing SNF, coupled with the uncertainty of the storage duration, necessitates decisions and actions to ensure that the infrastructure will be in place to ensure continued safe and effective long-term management and eventual disposal. The identification of reasonable alternate pathways took these considerations into account in an effort to proactively manage conditions that could challenge the safety of storing and managing DOE SNF over the time periods now contemplated and also to ensure that flexibility is preserved to ensure that the DOE SNF remains compatible with final disposition pathways when they become available. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

Development of Transformative Preparation Methods to Push up High Q&G Performance of FRIB Spare HWR Cryomodule Cavities

The FRIB accelerator project construction, a top priority of US nuclear science, was completed in January 2022, and is now moving to user operation. The stable and reliable operation of the accelerating cryomodules is essential in achieving/fulfilling DOE and user expectations. So far, FRIB cryomodules meet all FRIB specifications for cavity performance. However, during the lifetime of machine operation, degradation of cryomodule performance is possible, as reported in similar operating facilities (CEBAF, SNS). If cryomodule degradation is observed at FRIB, the under-performing cryomodule will require replacement/maintenance. In effort to manage operational reliability, FRIB plans to construct a 0.53 half-wave cryomodule to serve as an active spare. In a parallel effort, FRIB will also work toward increasing operational Q and gradient of spare cryomodule cavities to gain an overall performance margin to support future operational reliability. The current FRIB cavity designs have a potential to operate at gradients higher than 8 MV/m, but are currently limited by field emission (FE) and/or high field Q slope (HFQS); known issue in buffered chemical polished (BCP) treated cavities. The proposal looks to develop transformative surface preparation treatments to improve the operational gradient of spare cryomodules higher than 10 MV/m while maintaining high Q. Thus, increasing operational margin by 30 - 50%. With the goal to improve operational reliability set, the proposal will investigate multiple objectives as possible paths forward to achieve an overall increase in cavity performance and gain a better understanding of SRF limiting mechanisms. The proposal will study the application of different chemical surface treatments to 0.53 half-wave cavities, with the addition of low temperature bakes (LTB), and measure their effects on accelerating performance. Proposed chemical treatments to be explored in this proposal include conventional EP acid mixtures, as well as innovated EP and BCP acid mixtures designed to simplify processing paths in migrating FE and HFQS. The proposed transformative treatment wet N-doping also has the potential to replicate recent advancements in SRF technology relating to nitrogen doping and high Q operation without the requirement for an ultra-high vacuum annealing furnace; currently being developed at FNAL and JLAB. In parallel, high Q performance relating to flux trapping will be investigated with the installation of a second layer of magnetic shielding in the vertical test Dewar. The research objectives presented in the proposal, and their corresponding effects on cavity performance, will provide essential knowledge and future guidance to the SRF community and provide possible paths for future SRF based projects and applications.

43 PARTICLE ACCELERATORS↗

FRMAC Laboratory Analysis RadResponder Gap Analysis and Web Portal Enhancements

The Federal Radiological Monitoring and Assessment Center (FRMAC) relies on accurate and defensible analytical laboratory data to support its mission. FRMAC Laboratory Analysis personnel are responsible for (1) receiving samples, (2) managing samples, and (3) providing data quality assurance. Currently, the RadResponder software application does not meet all these needs. With some modifications, RadResponder could meet the needs for sample receiving functions, but it does not meet the needs of sample management and data quality assurance functions. The FRMAC Laboratory Analysis team has discussed and reviewed the following options moving forward: Option 1: Make minor revisions to RadResponder to improve sample receiving capability, purchase and configure a commercial laboratory information management system (LIMS) to perform sample management and data quality assurance, and build an interface between RadResponder and the commercial-off-the-shelf LIMS. Option 2: Make major revisions to RadResponder for all FRMAC Laboratory Analysis functions to support required sample management and data quality assurance activities. Option 3: Create a custom-built LIMS system to interface with RadResponder. Note: All three options will require the development of a Laboratory Analysis web portal and will require funding for ongoing maintenance and training. The FRMAC Laboratory Analysis team highly recommends Option 1 as the best and most efficient path forward. Commercial-off-the-shelf LIMS products have been proven successful in the laboratory community for decades. Option 1 leverages these proven technologies and takes advantage of RadResponder's current strengths.

61 RADIATION PROTECTION AND DOSIMETRY↗

The path towards functional nanoparticle-DNA origami composites

Nanoparticles (NPs) hold tremendous promise for diverse applications infields such as imaging, sensing, nanorobotics, and for optical and electronic materials. These applications often require precisely controlled interactions between multiple NPs or between NPs and other components. Hence, the organization of NPs into composite materials has been an active area of research. DNA origami nanotechnology offers a promising path forward with unparalleled control over complex nanoscale geometry and functionalization, programmed dynamic and mechanical properties, stimulus response to local or externally applied triggers, and capability of assembly into higher-order 1D, 2D, or 3D materials. Furthermore, DNA origami self-assembly is rapid and scalable, overcoming limitations of top-down NP organization methods. In this review, we outline the challenges, recent advances, and opportunities for NP-DNA origami composites. We go into depth on aspects of DNA origami that enhance materials function, such as dynamic actuation, and we discuss practical aspects involved in making NP-DNA composites. Whereas the vast majority of research in NP-DNA origami composite synthesis focuses on gold NPs, these methods can be generalized to other DNA-coated NPs, and therefore more broadly establish a path towards functional NP-DNA origami composites. We envision this review will serve as a guide to materials science and engineering researchers to pursue new materials based on NP-DNA composites.

77 NANOSCIENCE AND NANOTECHNOLOGY↗