Engineering Papers⌕ Search

SEARCH · Engineering Papers

Results for “roadmap”

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.

Quote a phrase for an exact phrase match. Source license links do not imply unrestricted reuse.

At least 1,081 records · Page 60

Geologic hydrogen: a review of resource potential, subsurface dynamics, exploration, production, transportation, and research opportunities

Hydrogen is a versatile resource with critical roles in decarbonization, industrial manufacturing, and energy integration. However, most hydrogen today is produced from fossil fuels, resulting in high emissions and energy consumption. Although low-carbon hydrogen production methods, such as steam methane reforming with carbon capture and renewable-powered electrolysis, are advancing, their high costs hinder large-scale deployment. Identifying alternative pathways for producing low-cost, low-emission hydrogen is therefore essential. Geologic hydrogen, referring to natural and stimulated hydrogen generated in the Earth's subsurface, has attracted growing attention as a potential source of sustainable, economically viable, and environmentally favorable hydrogen. This paper provides a comprehensive review of geologic hydrogen, covering its resource potential, origins, migration and trapping mechanisms, exploration techniques, production strategies, and pipeline transportation. It also identifies key knowledge gaps and proposes a roadmap for future research. The review indicates that geologic hydrogen has vast resource potential and can leverage existing subsurface technologies and geophysical exploration methods. However, major challenges persist, including uncertain hydrogen generation rates, limited understanding and control of serpentinization processes, costly transportation infrastructure, the lack of validated techno-economic analysis, and potential social and environmental issues. As the field is still in its early stages, progress will require interdisciplinary collaboration spanning geoscience, engineering, economics, environmental science, and policy and regulation.

42 ENGINEERING↗

Navigating the Path to Autonomy: Real-World Lessons from an Air-Free Self-Driving Laboratory

While autonomous experimentation has promise to accelerate discovery in physcial sciences, the real-world integration of predictive models and experimentation is non-trivial. Here we describe the genesis of a self-driving laboratory (SDL) for air-sensitive chemistry at Argonne National Laboratory and demonstrate the experimental design considerations needed for high-throughput experiments before predictive models can lead to scientific discovery. Our SDL was designed to explore battery electrolyte stability. Our final SDL utilized plate readers in a glovebox with a nitrogen atmosphere to perform kinetic assays and screen hundreds of battery-relevant solvents. However, the roadmap to autonomy and airfree-friendly experimentation required the complex evaluation of several spectroscopic and chromatographic methods. The greatest experimental challenges were (a) developing long-term sampling methods that remained air-free; (b) accelerating kinetics to advance reactivity projections; and (c) ensuring labware compatibility with nonaqueous solvents used in battery chemistry. Our experiences highlight the practical gap between closed-loop aspirations and the realities of chemical discovery, offering lessons on the challenges of transferring every day laboratory workflows to autonomy. These results suggest a more realistic blueprint for autonomy in chemistry—one that balances thoughtful and realistic experimental formulation.

Robertson, Lily A.↗

Chapter 2: International Requirements for Large Integration of Renewable Energy Sources

Most European countries have concerns about the integration of large amounts of renewable energy sources (RES) into electric power systems, and this is currently a topic of growing interest. In January 2008, the European Commission published the 2020 package, which proposes committing the European Union to a 20% reduction in greenhouse gas emissions, to achieve a target of deriving 20% of the European Union's final energy consumption from renewable sources, and to achieve 20% improvement in energy efficiency both by the year 2020 [1]. Member states have different individual goals to meet these overall objectives, and they each need to provide a detailed roadmap describing how they will meet these legally binding targets [2]. At this time, RES are an indispensable part of the global energy mix, which has been partially motivated by the continuous increases in hydropower as well as the rapid expansion of wind and solar photovoltaic (PV). The International Energy Agency's 2012 edition of the World Energy Outlook stated that the rapid increases in RES integration are underpinned by falling technology costs as well as rising fossilfuel prices and carbon pricing, but RES integration is also encouraged by continued subsidies: from $88 billion globally in 2011 (compared to $523 billion in fossil-fuel subsidies in 2012 [3], with a share of $131 billion for electricity generation) to an estimated $240 billion in 2035 [4]. According to [3], in 2015 RES accounted for 22% of electricity generation, which was approximately the same level as gas and about one-half the level of coal.

24 POWER TRANSMISSION AND DISTRIBUTION↗

KiDS-1000 cosmology: Combined second- and third-order shear statistics

Aims.In this work, we perform the first cosmological parameter analysis of the fourth release of Kilo Degree Survey (KiDS-1000) data with second- and third-order shear statistics. This paper builds on a series of studies aimed at describing the roadmap to third-order shear statistics. Methods.We derived and tested a combined model of the second-order shear statistic, namely, the COSEBIs and the third-order aperture mass statistics 〈ℳ ap 3 〉 in a tomographic set-up. We validated our pipeline withN-body mock simulations of the KiDS-1000 data release. To model the second- and third-order statistics, we used the latest version of HMCODE2020 for the power spectrum and BIHALOFITfor the bispectrum. Furthermore, we used an analytic description to model intrinsic alignments and hydro-dynamical simulations to model the effect of baryonic feedback processes. Lastly, we decreased the dimension of the data vector significantly by considering only equal smoothing radii for the 〈ℳ ap 3 〉 part of the data vector. This makes it possible to carry out a data analysis of the KiDS-1000 data release using a combined analysis of COSEBIs and third-order shear statistics. Results.We first validated the accuracy of our modelling by analysing a noise-free mock data vector, assuming the KiDS-1000 error budget, finding a shift in the maximum of the posterior distribution of the matter density parameter, ΔΩ m < 0.02 σ Ω m , and of the structure growth parameter, ΔS 8 < 0.05 σ S 8 . Lastly, we performed the first KiDS-1000 cosmological analysis using a combined analysis of second- and third-order shear statistics, where we constrained Ω m = 0.248 −0.055 +0.062 andS 8 = σ 8 √(Ω m /0.3 )= 0.772 ± 0.022. The geometric average on the errors of Ω m andS 8 of the combined statistics decreases, compared to the second-order statistic, by a factor of 2.2.

Astronomy & Astrophysics↗

An atomic force microscopy-based method for line edge roughness measurement

With the constant decrease of semiconductor device dimensions, line edge roughness (LER) becomes one of the most important sources of device variability and needs to be controlled below 2 nm for the future technological nodes of the semiconductor roadmap. LER control at the nanometer scale requires accurate measurements. We introduce a technique for LER measurement based upon the atomic force microscope (AFM). In this technique, the sample is tilted at about 45 Degree-Sign and feature sidewalls are scanned along their length with the AFM tip to obtain three-dimensional images. The small radius of curvature of the tip together with the low noise level of a laboratory AFM result in high resolution images. Half profiles and LER values on all the height of the sidewalls are extracted from the 3D images using a procedure that we developed. The influence of sample angle variations on the measurements is shown to be small. The technique is applied to the study of a full pattern transfer into a simplified gate stack. The images obtained are qualitatively consistent with cross-section scanning electron microscopy images and the average LER values agree with that obtained by critical dimension scanning electron microscopy. In addition to its high resolution, this technique presents several advantages such as the ability to image the foot of photoresist lines, complex multi-layer stacks regardless of the materials, and deep re-entrant profiles.

36 MATERIALS SCIENCE↗

GaNAsP: An intermediate band semiconductor grown by gas-source molecular beam epitaxy

Dilute nitride GaNAsP thin films were grown via a GaAsP metamorphic buffer on GaP(100) substrate with gas-source molecular beam epitaxy. The compositions of this III-V-V-V compound were determined by channeling Rutherford backscattering spectroscopy and nuclear reaction analysis. Photoreflectance shows two distinctive transitions from the valence band to the split conduction bands due to N incorporation. Photoluminescence and optical absorption show the fundamental bandgap of Ga(N)AsP is largely tailored by the small amount of N. The observed multiband characteristics and the bandgap tunability of GaNAsP are two merits that fit into the intermediate-band solar cell roadmap, and GaNAsP of high crystal quality provides a strong candidate for intermediate band solar cell materials.

36 MATERIALS SCIENCE↗

How to measure a complete set of polarization-dependent differential cross sections in a scattering experiment with aligned reagents?

Polarization-dependent differential cross section (PDDCS) is one of the three-vector correlations (k, k{sup ′}, j) in molecular collisions, which provides the most detailed insights into the steric requirements of chemical reactions, i.e., how the reactivity depends on the polarization of reagents. Only quite recently has such quantity been fully realized experimentally in the study of the reaction of the aligned CHD{sub 3}(v{sub 1} = 1, |jK〉 = |10〉) molecules with Cl({sup 2}P{sub 3/2}) atoms. Theoretically, PDDCS is a relatively new concept; experimental realization of the theoretical construct requires some careful considerations that are not readily available in the literature. Here, we present the “know-how” behind the full PDDCS measurements to fill the gaps and to provide a clear roadmap for future applications. To make the connection apparent between the methodology presented here and the stereodynamics revealed in previous reports, the same Cl + aligned CHD{sub 3} reaction is used for illustration.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

Computational study of heterojunction graphene nanoribbon tunneling transistors with p-d orbital tight-binding method

The graphene nanoribbon (GNR) tunneling field effect transistor (TFET) has been a promising candidate for a future low power logic device due to its sub-60 mV/dec subthreshold characteristic and its superior gate control on the channel electrons due to its one-dimensional nature. Even though many theoretical studies have been carried out, it is not clear that GNR TFETs would outperform conventional silicon metal oxide semiconductor field effect transistors (MOSFETs). With rigorous atomistic simulations using the p/d orbital tight-binding model, this study focuses on the optimization of GNR TFETs by tuning the doping density and the size of GNRs. It is found that the optimized GNR TFET can operate at a half of the supply voltage of silicon nanowire MOSFETs in the ballistic limit. However, a study on the effects of edge roughness on the performance of the optimized GNR TFET structure reveals that experimentally feasible edge roughness can deteriorates the on-current performance if the off-current is normalized with the low power requirement specified in the international technology roadmap for semiconductors.

77 NANOSCIENCE AND NANOTECHNOLOGY↗

Multifunctionalities driven by ferroic domains

Considerable attention has been paid to ferroic systems in pursuit of advanced applications in past decades. Most recently, the emergence and development of multiferroics, which exhibit the coexistence of different ferroic natures, has offered a new route to create functionalities in the system. In this manuscript, we step from domain engineering to explore a roadmap for discovering intriguing phenomena and multifunctionalities driven by periodic domain patters. As-grown periodic domains, offering exotic order parameters, periodic local perturbations and the capability of tailoring local spin, charge, orbital and lattice degrees of freedom, are introduced as modeling templates for fundamental studies and novel applications. We discuss related significant findings on ferroic domain, nanoscopic domain walls, and conjunct heterostructures based on the well-organized domain patterns, and end with future prospects and challenges in the field.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Evidence for anisotropic dielectric properties of monoclinic hafnia using valence electron energy-loss spectroscopy in high-resolution transmission electron microscopy and ab initio time-dependent density-functional theory

The effect of nanocrystal orientation on the energy loss spectra of monoclinic hafnia (m-HfO{sub 2}) is measured by high resolution transmission electron microscopy (HRTEM) and valence energy loss spectroscopy (VEELS) on high quality samples. For the same momentum-transfer directions, the dielectric properties are also calculated ab initio by time-dependent density-functional theory (TDDFT). Experiments and simulations evidence anisotropy in the dielectric properties of m-HfO{sub 2}, most notably with the direction-dependent oscillator strength of the main bulk plasmon. The anisotropic nature of m-HfO{sub 2} may contribute to the differences among VEELS spectra reported in literature. The good agreement between the complex dielectric permittivity extracted from VEELS with nanometer spatial resolution, TDDFT modeling, and past literature demonstrates that the present HRTEM-VEELS device-oriented methodology is a possible solution to the difficult nanocharacterization challenges given in the International Technology Roadmap for Semiconductors.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Implementation status of the extreme light infrastructure - nuclear physics (ELI-NP) project

The Project Extreme Light Infrastructure (ELI) is part of the European Strategic Forum for Research Infrastructures (ESFRI) Roadmap. ELI will be built as a network of three complementary pillars at the frontier of laser technologies. The ELI-NP pillar (NP for Nuclear Physics) is under construction near Bucharest (Romania) and will develop a scientific program using two 10 PW lasers and a Compton back-scattering high-brilliance and intense gamma beam, a marriage of laser and accelerator technology at the frontier of knowledge. In the present paper, the technical description of the facility, the present status of the project as well as the science, applications and future perspectives will be discussed.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Development of process parameters for 22 nm PMOS using 2-D analytical modeling

The complementary metal-oxide-semiconductor field effect transistor (CMOSFET) has become major challenge to scaling and integration. Innovation in transistor structures and integration of novel materials are necessary to sustain this performance trend. CMOS variability in the scaling technology becoming very important concern due to limitation of process control; over statistically variability related to the fundamental discreteness and materials. Minimizing the transistor variation through technology optimization and ensuring robust product functionality and performance is the major issue.In this article, the continuation study on process parameters variations is extended and delivered thoroughly in order to achieve a minimum leakage current (I{sub LEAK}) on PMOS planar transistor at 22 nm gate length. Several device parameters are varies significantly using Taguchi method to predict the optimum combination of process parameters fabrication. A combination of high permittivity material (high-k) and metal gate are utilized accordingly as gate structure where the materials include titanium dioxide (TiO{sub 2}) and tungsten silicide (WSi{sub x}). Then the L9 of the Taguchi Orthogonal array is used to analyze the device simulation where the results of signal-to-noise ratio (SNR) of Smaller-the-Better (STB) scheme are studied through the percentage influences of the process parameters. This is to achieve a minimum I{sub LEAK} where the maximum predicted I{sub LEAK} value by International Technology Roadmap for Semiconductors (ITRS) 2011 is said to should not above 100 nA/µm. Final results shows that the compensation implantation dose acts as the dominant factor with 68.49% contribution in lowering the device’s leakage current. The absolute process parameters combination results in I{sub LEAK} mean value of 3.96821 nA/µm where is far lower than the predicted value.

36 MATERIALS SCIENCE↗

The linac coherent light source single particle imaging road map

Intense femtosecond x-ray pulses from free-electron laser sources allow the imaging of individual particles in a single shot. Early experiments at the Linac Coherent Light Source (LCLS) have led to rapid progress in the field and, so far, coherent diffractive images have been recorded from biological specimens, aerosols, and quantum systems with a few-tens-of-nanometers resolution. In March 2014, LCLS held a workshop to discuss the scientific and technical challenges for reaching the ultimate goal of atomic resolution with single-shot coherent diffractive imaging. This paper summarizes the workshop findings and presents the roadmap toward reaching atomic resolution, 3D imaging at free-electron laser sources.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Etching of Cr tips for scanning tunneling microscopy of cleavable oxides

Here, we report a detailed three-step roadmap for the fabrication and characterization of bulk Cr tips for spin-polarized scanning tunneling microscopy. Our strategy uniquely circumvents the need for ultra-high vacuum preparation of clean surfaces or films. First, we demonstrate the role of ex situ electrochemical etch parameters on Cr tip apex geometry, using scanning electron micrographs of over 70 etched tips. Second, we describe the suitability of the in situ cleaved surface of the layered antiferromagnet La 1.4 Sr 1.6 Mn 2 O 7 to evaluate the spin characteristics of the Cr tip, replacing the ultra-high vacuum-prepared test samples that have been used in prior studies. Third, we outline a statistical algorithm that can effectively delineate closely spaced or irregular cleaved step edges, to maximize the accuracy of step height and spin-polarization measurements.

36 MATERIALS SCIENCE↗

Proton-conducting oxides for energy conversion and storage

Proton-conducting oxides are a class of solid-state ion-conducting ceramic materials that demonstrate significant hydrogen ion (proton) conductivity at intermediate temperatures (e.g., 300–700 °C). They are garnering significant attention due to several unique characteristics that distinguish them from both higher temperature oxygen ion conducting oxides and lower temperature proton-conducting polymers. By enabling proton-mediated electrochemistry under both dry and wet environments at moderate temperatures, protonic ceramics provide unique opportunities to enhance or synergize a diverse range of complementary electrochemical and thermochemical processes. Because of this potential, significant efforts have been devoted to advancing numerous energy-related applications using these materials. This review aims to comprehensively summarize these applications and analyze the most up-to-date and future developments of proton-conducting oxides. We aim to bring together this diverse subject matter by integrating the fundamentals of proton-conducting oxides with application-oriented insights. We begin with a historical roadmap, followed by a basic overview of the materials, theories and fundamentals, and fabrication and processing technologies underlying the field. The central section of our review summarizes major applications and developments of proton-conducting ceramics, ranging from maturing applications approaching commercialization to embryonic technologies just now emerging from the lab. These include protonic ceramic fuel cells, protonic ceramic electrolysis cells, reversible protonic ceramic electrochemical cells, protonic ceramic membrane reactors, and protonic ceramic electrochemical reactors. For each application, we analyze both the prospects and challenges and offer recommendations for future research directions so that tomorrow's researchers can continue to advance the development and commercialization of these fascinating materials.

Duan, Chuancheng (ORCID:0000000218261415)↗

A conservative approach to scaling magneto-inertial fusion concepts to larger pulsed-power drivers

The Magnetized Liner Inertial Fusion (MagLIF) experimental platform [M. R. Gomez et al., Phys. Rev. Lett. 113, 155003 (2014)] represents the most successful demonstration of magneto-inertial fusion (MIF) techniques to date in pursuit of ignition and significant fusion yields. The pressing question remains regarding how to scale MIF concepts like MagLIF to more powerful pulsed-power drivers while avoiding significant changes in physical regimes that could adversely impact performance. In this work, we propose a conservative approach for scaling general MIF implosions, including MagLIF. Underpinning our scaling approach is a theoretical framework describing the evolution of the trajectory and thickness of a thin-walled, cylindrical, current-driven shell imploding on preheated, adiabatic fuel. By imposing that scaled implosions remain self-similar, we obtain a set of scaling rules expressing key target design parameters and performance metrics as functions of the maximum driver current I max . We identify several scaling paths offering unique, complementary benefits and trade-offs in terms of physics risks and driver requirements. Remarkably, when scaling present-day experiments to higher coupled energies, these paths are predicted to preserve or reduce the majority of known performance-degrading effects, including hydrodynamic instabilities, impurity mix, fuel energy losses, and laser-plasma interactions, with notable exceptions clearly delineated. In the absence of α heating, our scaling paths exhibit neutron yield per-unit-length scaling as $\tilde{Y}$∝[I$3\atop{max}$,I${4.14}\atop{max}$] and ignition parameter scaling as χ∝[I max ,I${2.14}\atop{max}$]. By considering the specific physics risks unique to each scaling path, we provide a roadmap for future investigations to evaluate different scaling options through detailed numerical studies and scaling-focused experiments on present-day facilities. Overall, these results highlight the potential of MIF as a key component of the national ignition effort.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Scalable molecular dynamics on CPU and GPU architectures with NAMD

NAMD is a molecular dynamics program designed for high-performance simulations of very large biological objects on CPU- and GPU-based architectures. NAMD offers scalable performance on petascale parallel supercomputers consisting of hundreds of thousands of cores, as well as on inexpensive commodity clusters commonly found in academic environments. It is written in C++ and leans on Charm++ parallel objects for optimal performance on low-latency architectures. NAMD is a versatile, multipurpose code that gathers state-of-the-art algorithms to carry out simulations in apt thermodynamic ensembles, using the widely popular CHARMM, AMBER, OPLS, and GROMOS biomolecular force fields. Here, we review the main features of NAMD that allow both equilibrium and enhanced-sampling molecular dynamics simulations with numerical efficiency. We describe the underlying concepts utilized by NAMD and their implementation, most notably for handling long-range electrostatics; controlling the temperature, pressure, and pH; applying external potentials on tailored grids; leveraging massively parallel resources in multiple-copy simulations; and hybrid quantum-mechanical/molecular-mechanical descriptions. We detail the variety of options offered by NAMD for enhanced-sampling simulations aimed at determining free-energy differences of either alchemical or geometrical transformations and outline their applicability to specific problems. Last, we discuss the roadmap for the development of NAMD and our current efforts toward achieving optimal performance on GPU-based architectures, for pushing back the limitations that have prevented biologically realistic billion-atom objects to be fruitfully simulated, and for making large-scale simulations less expensive and easier to set up, run, and analyze. NAMD is distributed free of charge with its source code at www.ks.uiuc.edu.

high-performance computing↗

Pressure–strain interaction. III. Particle-in-cell simulations of magnetic reconnection

How energy is converted into thermal energy in weakly collisional and collisionless plasma processes, such as magnetic reconnection and plasma turbulence, has recently been the subject of intense scrutiny. The pressure–strain interaction has emerged as an important piece, as it describes the rate of conversion between bulk flow and thermal energy density. In two companion studies, we presented an alternate decomposition of the pressure–strain interaction to isolate the effects of converging/diverging flow and flow shear instead of compressible and incompressible flow, and we derived the pressure–strain interaction in magnetic field-aligned coordinates. Here, we use these results to study pressure–strain interaction during two-dimensional anti-parallel magnetic reconnection. We perform particle-in-cell simulations and plot the decompositions in both Cartesian and magnetic field-aligned coordinates. We identify the mechanisms contributing to positive and negative pressure–strain interaction during reconnection. Furthermore, this study provides a roadmap for interpreting numerical and observational data of the pressure–strain interaction, which should be important for studies of reconnection, turbulence, and collisionless shocks.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗