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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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All sourcesNASA NTRSDOE OSTI
DOE OSTI2023

High-fidelity multiphysics load following and accidental transient modeling of microreactors using NEAMS tools: Application of NEAMS codes to perform multiphysics modeling analyses of micro-reactor concepts

The feasibility of modeling microreactors using high-fidelity models with the Nuclear Energy Advanced Modeling and Simulation (NEAMS) tools is investigated in this report. Three overarching questions guided this research: can NEAMS tools readily be applied for high-fidelity multiphysics modeling of different types of transients in microreactor designs; how accurate are the results obtained; and are improvements needed in accuracy or user experience of NEAMS tools, especially considering newly developed capabilities? This work builds upon FY-2022 work, and two microreactor concepts considering heat pipe (HP-MR) and gas-cooled (GC-MR) technologies were further analyzed using high-fidelity multiphysics simulations. The NEAMS tools considered and coupled within the MultiApp environment are Griffin for neutronics, BISON for thermo-mechanics, Sockeye for heat pipe modeling (in HP-MR), SAM for 1D Fluid – 3D solid modeling of coolant channels and system modeling of balance of plant components (in GC-MR), and the SWIFT code for hydrogen redistribution in hydride moderator. The Heat Pipe MicroReactor (HP-MR) concept was further analyzed in FY-2023 to demonstrate the stochastic TRISO failure modeling capability in BISON to check operational limits of the TRISO fuel. A new full-core Gas-Cooled MicroReactor (GC-MR) model was developed based on the initial assembly-model used in Y-2022 and used for steady-state and accidental depressurization transient simulations. Accuracy of the simulations performed was assessed through 1) verification analyses completed on the different physics with code-to-code comparison, and 2) validation of the multiphysics simulations based on modeling of the Kilopower Reactor Using Stirling Technology (KRUSTY) experiment. In FY-2023, the mesh and model of KRUSTY was updated to closely match publicly available data, and the neutronic model was verified and validated against experimental control rod worth measurements. The multiphysics model of KRUSTY was developed and used for steady-state analysis and for modeling reactivity insertion transient. The calculated power increase and stabilization agrees well with experimental data following adjustment in fuel thermal expansion coefficient. As an important component of this project, the ANL team gathered experience with a wide range of NEAMS tools: the MOOSE Mesh System, Griffin, BISON, SWIFT, Sockeye, SAM, Workbench, and the MOOSE MultiApp System, and provided assessment of new capabilities. Noteworthy are the user assessment of the “vapor-only” flow model in Sockeye and development of a multiphysics startup transient in HP-MR unit cell for use as tutorial in Sockeye. The full-core GC-MR model was used for assessment of SAM for balance of plant modeling and for demonstrating the SWIFT code capability for hydrogen redistribution modeling in multiphysics transient analyses. In this process, several bugs/issues were identified and reported to developers. Finally, the assembly GC-MR model developed in FY-2022 coupling Griffin, BISON and SAM through flow blockage and rod ejection transients was published to the National Reactor Innovation Center (NRIC) Virtual Test Bed (VTB). The Heat Pipe MicroReactor (HP-MR) concept high-fidelity multiphysics coupling of Griffin/BISON/Sockeye in load-following and heat pipe failure transients was also published on the VTB. Those submissions are enabling thorough review of these models as well as wide distribution to industry, regulator, and university users. In this analysis, several new research questions were uncovered, and follow-up analyses are recommended to further improve some models, consider additional transients, and continue development of VTB models.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2021

Evaluating China’s Passenger Vehicle Market under the Vehicle Policies of 2021–2023

China is well known for its determination on large-scale vehicle electrification, which currently is mainly driven by fuel economy and electric vehicle policies mixed with the extensive charging infrastructure support and monetary incentives from the government. This study adopted the New Energy and Oil Consumption Credits (NEOCC) model 2020 version, a vehicle policy analysis tool developed by the Oak Ridge National Laboratory, in order to systematically quantify the potential impacts of the “Passenger Cars Corporate Average Fuel Consumption and New Energy Vehicle Credit Regulation”, which is a revised version released in June 2020 for the timeframe 2021–2023, the so-called dual credit policy (2021–2023). It was found that, under the dual credit policy (2021–2023), the sales of hybrid electric vehicles could reach 0.91 million by the end of 2023, which would increase much faster than they did in 2018–2020. The annual sales share of plug-in electric vehicles (PEVs) could reach 11.7%, and the PEV stocks could achieve 11.70 million by the end of 2023 if it keeps the expansion to the level of how it was in 2017. In addition, the BEVs with long electric range (such as 400 km) and the plug-in hybrid electric SUVs could be the most popular PEV types.

33 ADVANCED PROPULSION SYSTEMS↗
DOE OSTI2021

Developing Southeast Asia Solar Resource Data to Support the Clean Energy Transition in the Region

This fact sheet describes the development and release of a high-fidelity solar time series data set for the entire Southeast Asia region, which can be used to drive energy sector investment, support enabling policies to support solar energy market expansion, and inform prospecting, renewable energy auctions, target-setting, grid integration and other high impact decisions, ranging from the micro to macro scale, to accelerate renewable energy deployment throughout SE Asia. This data is available on the enhanced and expanded RE Data Explorer (RE Explorer) platform.

Advanced Energy Partnership for Asia↗
DOE OSTI2025

Surviving nanoscale interfacial stability in extreme thermal expansion contrast Zn(CN) 2 -epoxy resin matrix composites

Here, we report the remarkable stability at the nanoscale matrix-filler interface in a series of overall low coefficient of thermal expansion (CTE) zinc cyanide (ZC)/epoxy resin composites. These interfaces demonstrate the stability of highly contrasting materials. These composites are designed to optimize the properties of both materials: epoxy resins are valued for their high strength, superb chemical resistance, low dielectric properties, and adhesive abilities. ZC, a model flexible framework, exhibits negative thermal expansion (NTE) behavior and compensates for the epoxy resin’s detrimentally large thermal expansion values. Filled resins minimize the native 65 ppm/°C CTE values to 19 ppm/° C over a wide temperature range while maintaining linearity, yielding composites compatible with typical metal and ceramic substrates’—commonly bonded to the resin— 0–20 ppm/° C CTE values. Additionally, with significant intrinsic differences in the materials, we use wide-angle X-ray diffraction and atomic force microscopy to elucidate thermal movement. The ZC/epoxy interface is surprisingly resilient over 1,000 cycles between -55° C and 75° C, extremes typical to aerospace applications. Further, we show that the resin viscosity remains less than 21 Pa*s at up to 30 vol% ZC, an important consideration for workability. We also discuss settling distribution, glass transition temperature, flexural strength, and longevity. All results point favorably towards practical implementation in low thermal expansion application needs: filling the gap in component design.

42 ENGINEERING↗
DOE OSTI2025

Getting brighter: Impacts of improved day-ahead solar forecasts in high-solar, high-storage electricity systems

This paper analyzes the impacts of improved day-ahead solar forecasts on costs and dispatch in the solar-rich Southeast U.S. It uses an optimized high-solar, high-storage resource portfolio in which solar generation capacity accounts for 45 % of total installed capacity (34 %–36 % of generation) and energy storage capacity (43 GW) is equivalent to 33 % of peak demand. In a base scenario, improved day-ahead solar forecasts reduce production costs by $\$87$ million per year ($\$0.13$ per MWh load, $2023$$). This level of savings is within the range or lower than earlier studies of solar forecast improvements at lower levels of solar generation (<25 % of total generation). In this study, solar expansion was accompanied by two important sources of flexibility for managing solar forecast error: energy storage and day-ahead solar curtailment. Furthermore, the analysis finds that regional coordination complements day-ahead solar forecast improvements while natural gas commitment flexibility is a substitute for forecast improvements, as the improved solar forecast leads to sub-optimal commitment of thermal units. Day-ahead solar forecast improvements reduce reserves required to manage forecast error by 30 %. Fewer reserves to manage large, infrequent solar forecast errors could be an important benefit of improved solar forecasts.

14 SOLAR ENERGY↗
DOE OSTI2023

A prediction of the thermodynamic, thermophysical, and mechanical properties of CrTaO 4 from first principles

It is reported that the self-forming CrTaO 4 oxide scale can protect refractory high-entropy alloys from oxidation, superior to Cr 2 O 3 . In this paper, the phase stability, mechanical, and thermal properties of three polymorphous phases of CrTaO 4 are systematically investigated from first-principles density functional theory calculations. The mechanical properties predicted using the strain–energy methods indicated that all three phases are mechanically stable. The temperature dependence of elastic constants and polycrystalline moduli of three phases demonstrated the thermal softening as temperature increase. The Helmholtz-free energies as a function of volume and temperature are derived from phonon dispersions within the quasi-harmonic approximation at six strained volumes. The calculated apparent bulk coefficients of thermal expansion of these three phases are evaluated, the highest value approximately 13.4× 10 –6 K –1 within a temperature range of 500–2000 K for the rutile I4 1 md phase. The lattice thermal conductivity calculated by the Debye–Callaway model suggested that the rutile type I4 1 md phase has the lowest value of approximately 2.1 W/m/K at 1800 K. The other two phases, C2/m and P2/c, exhibit higher values due to relatively lower Grüneisen parameters and larger phonon velocities. The melting point of CrTaO 4 is predicted to be between 1975 and 2449 K using ab initio molecular dynamics simulations. Finally, this work provides a comprehensive theoretical understanding of the thermodynamic, mechanical, and thermal properties for the new material CrTaO 4 and serves as an example of a viable computational design strategy for improved oxidation resistance of refractory alloys at high temperatures.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Node Distortion as a Tunable Mechanism for Negative Thermal Expansion in Metal–Organic Frameworks

Chemically functionalized series of metal–organic frameworks (MOFs), with subtle differences in local structure but divergent properties, provide a valuable opportunity to explore how local chemistry can be coupled to long-range structure and functionality. Using in situ synchrotron X-ray total scattering, with powder diffraction and pair distribution function (PDF) analysis, we investigate the temperature dependence of the local- and long-range structure of MOFs based on NU-1000, in which Zr 6 O 8 nodes are coordinated by different capping ligands (H 2 O/OH, Cl – ions, formate, acetylacetonate, and hexafluoroacetylacetonate). We show that the local distortion of the Zr 6 nodes depends on the lability of the ligand and contributes to a negative thermal expansion (NTE) of the extended framework. Using multivariate data analyses, involving non-negative matrix factorization (NMF), we demonstrate a new mechanism for NTE: progressive increase in the population of a smaller, distorted node state with increasing temperature leads to global contraction of the framework. The transformation between discrete node states is noncooperative and not ordered within the lattice, i.e., a solid solution of regular and distorted nodes. Density functional theory calculations show that removal of ligands from the node can lead to distortions consistent with the Zr···Zr distances observed in the experiment PDF data. Control of the node distortion imparted by the nonlinker ligand in turn controls the NTE behavior. Furthermore, these results reveal a mechanism to control the dynamic structure of MOFs based on local chemistry.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2020

Combustion of metal powder with dinitrogen tetroxide

In this work, we present analysis of a novel reactive material system that employs dinitrogen tetroxide (N 2 O 4 ) as a liquid oxidizer with metal powder fuels. The oxidizer was added to micron scale aluminum and zirconium powders by a remote injection system. When ignited with a high voltage spark, the mixtures were observed to possess reactivity comparable to nanocomposite reactive materials, with open-tube flame expansion velocities from 500 to 1400 m/s depending on fuel/oxidizer ratio and tube diameter. Temperatures were observed to range from 3000 to 3500 K as measured with gray body fits to 16-channel time-resolved pyrometer and time-integrated spectrometer data. These values were significantly below calculated adiabatic flame temperatures, which we attribute to local deviations from stoichiometry and kinetic/energetic limitations similar to those observed in studies of particles burning in high pressures gaseous oxidizers. Al/N 2 O 4 reactivity was found to be most likely limited by the vaporization of the metal from the particle surface and Zr/N 2 O 4 was limited by slower burning and complex interactions involving the solubility of nitrogen and oxygen in the molten Zr. We also discuss the potential for these materials to be used to create an “on/off” reactive material, since N2O4 can be added remotely and driven to evaporate via vacuum or purge of inert gases to return it to a safe condition.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Calculation of the detonation state of HN 3 with quantum accuracy

HN 3 is a unique liquid energetic material that exhibits ultrafast detonation chemistry and a transition to metallic states during detonation. We combine the Chebyshev interaction model for efficient simulation (ChIMES) many-body reactive force field and the extended-Lagrangian multiscale shock technique molecular dynamics method to calculate the detonation properties of HN 3 with the accuracy of Kohn–Sham density-functional theory. ChIMES is based on a Chebyshev polynomial expansion and can accurately reproduce density-functional theory molecular dynamics (DFT-MD) simulations for a wide range of unreactive and decomposition conditions of liquid HN 3 . We show that addition of random displacement configurations and the energies of gas-phase equilibrium products in the training set allows ChIMES to efficiently explore the complex potential energy surface. Schemes for selecting force field parameters and the inclusion of stress tensor and energy data in the training set are examined. Structural and dynamical properties and chemistry predictions for the resulting models are benchmarked against DFT-MD. We demonstrate that the inclusion of explicit four-body energy terms is necessary to capture the potential energy surface across a wide range of conditions. Our results generally retain the accuracy of DFT-MD while yielding a high degree of computational efficiency, allowing simulations to approach orders of magnitude larger time and spatial scales. The techniques and recipes for MD model creation we present allow for direct simulation of nanosecond shock compression experiments and calculation of the detonation properties of materials with the accuracy of Kohn–Sham density-functional theory.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2022

Laplacian-level meta-generalized gradient approximation for solid and liquid metals

In this work, we derive and motivate a Laplacian-level, orbital-free meta-generalized-gradient approximation (LL-MGGA) for the exchange-correlation energy, targeting accurate ground-state properties of sp and sd metallic condensed matter, in which the density functional for the exchange-correlation energy is only weakly nonlocal due to perfect long-range screening. Our model for the orbital-free kinetic energy density restores the fourth-order gradient expansion for exchange to the r 2 SCAN meta-GGA [Furness et al., J. Phys. Chem. Lett. 11, 8208 (2020)], yielding a LL-MGGA we call OFR2. OFR2 matches the accuracy of SCAN for prediction of common lattice constants and improves the equilibrium properties of alkali metals, transition metals, and intermetallics that were degraded relative to the PBE GGA values by both SCAN and r 2 SCAN. We compare OFR2 to the r 2 SCAN -L LL-MGGA [Mejia-Rodriguez and Trickey, Phys. Rev. B 102, 121109(R) (2020)] and show that OFR2 tends to outperform r 2 SCAN -L for the equilibrium properties of solids, but r 2 SCAN -L much better describes the atomization energies of molecules than OFR2 does. For best accuracy in molecules and nonmetallic condensed matter, we continue to recommend SCAN and r 2 SCAN. Numerical performance is discussed in detail, and our paper provides an outlook to machine learning.

36 MATERIALS SCIENCE↗
DOE OSTI2026

Sparow-Examples

SAND2026-16701O SPAROW-Examples software provides a repository of stochastic programming examples designed to demonstrate Sandia's SPAROW optimization library. This resource helps users learn to develop complex applications with SPAROW by offering reference implementations that can be used to test and enhance new optimization solvers. The library offers a diverse range of simple and complex exemplars, including those related to power grid applications such as unit commitment and expansion planning. Sandia National Laboratories is a multimission laboratory managed and operated by National Technology & Engineering Solutions of Sandia, LLC, a wholly owned subsidiary of Honeywell International Inc., for the U.S. Department of Energy’s National Nuclear Security Administration under contract DE-NA0003525.

Hart, William [Sandia National Lab. (SNL-CA), Live↗
DOE OSTI2025

Sensor Placement Optimization Study for the Built Environment: Operational Use Cases

Systems of fixed-position radiation sensors can provide information that assists emergency responders following nuclear and radiological incidents. State, local, tribal, and territorial (SLTT) government agencies that implement systems of fixed-position sensors are faced with numerous decisions regarding sensor selection, quantity, and placement. To develop guidance on implementation of radiation detection systems, we simulated the release of radioactive material in an urban environment using a combination of three models: the Weather Research Forecasting (WRF), Quick Urban and Industrial Complex (QUIC), and Monte Carlo N-Particle (MCNP) models. We then evaluated the performance of several hypothetical sensor systems. The small number of simulations we conducted are not sufficient to generate definitive design guidance for radiation sensor systems, but we did identify trends that would be of interest to emergency planners. For a scenario that releases 1000 curies of Cs-137, radiation detectors were needed at 500-meter intervals to have a high likelihood of event detection and to estimate source location and plume detection. We also noted that optimal detector altitude varied with distance to the source. We recommend additional research in this area be conducted to support developing sensor placement guidelines that expand on a range of locations, isotopes, activity levels, and different weather conditions. Original simulation strategies included a range of environments, additional radioisotopes (Am241 and AmBe), and a larger selection of sensor types. These types of expansions would support SLTT guidance on sensor system recommendations.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2023

Balancing renewable energy and river resources by moving from individual assessments of hydropower projects to energy system planning

As governments and non-state actors strive to minimize global warming, a primary strategy is the decarbonization of power systems which will require a massive increase in renewable electricity generation. Leading energy agencies forecast a doubling of global hydropower capacity as part of that necessary expansion of renewables. While hydropower provides generally low-carbon generation and can integrate variable renewables, such as wind and solar, into electrical grids, hydropower dams are one of the primary reasons that only one-third of the world’s major rivers remain free-flowing. This loss of free-flowing rivers has contributed to dramatic declines of migratory fish and sediment delivery to agriculturally productive deltas. Further, the reservoirs behind dams have displaced tens of millions of people. Thus, hydropower challenges the world’s efforts to meet climate targets while simultaneously achieving other Sustainable Development Goals. In this paper, we explore strategies to achieve the needed renewable energy expansion while sustaining the diverse social and environmental benefits of rivers. These strategies can be implemented at scales ranging from the individual project (environmental flows, fish passage and other site-level mitigation) to hydropower cascades to river basins and regional electrical power systems. While we review evidence that project-level management and mitigation can reduce environmental and social costs, we posit that the most effective scale for finding balanced solutions occurs at the scale of power systems. We further hypothesize that the pursuit of solutions at the system scale can also provide benefits for investors, developers and governments; evidence of benefits to these actors will be necessary for achieving broad uptake of the approaches described in this paper. We test this hypothesis through cases from Chile and Uganda that demonstrate the potential for system-scale power planning to allow countries to meet low-carbon energy targets with power systems that avoid damming high priority rivers (e.g., those that would cause conflicts with other social and environmental benefits) for a similar system cost as status quo approaches. We also show that, through reduction of risk and potential conflict, strategic planning of hydropower site selection can improve financial performance for investors and developers, with a case study from Colombia.

Opperman, Jeffrey J.↗
DOE OSTI2022

Nuclear's Role in the U.S. Electricity System: A Multi-Model Inter-Comparison Analysis

Multiple capacity expansion models (CEMs) for the U.S. power system represent the balance of options among generation, transmission, and storage assets that can satisfy electric loads, operating and planning reserves, and policy requirements. These models are typically set up to find the least-cost portfolio of assets that meet specified requirements, and model decisions can include both investments in new, and retirement of existing, resources. The scenarios explored by CEMs can help inform strategies for meeting future electricity and energy needs under a range of future conditions. However, projections can differ between models, sometimes dramatically, for a seemingly similar scenario. Differences in model coverage, structure, and input assumptions contribute to the range of model outcomes. Understanding what drives the biggest differences in model outputs improves model insights and provides context for interpreting results. This summary presents analysis that was performed through a forum of analysts who own, update, and apply CEMs, as well as nuclear experts from national laboratories, industry, and the research community. The following sections describe methods, results, and findings from an original, innovative inter-model comparison that provides insights into what drives the greatest differences in nuclear retirement and deployment projections across models and a range of technology, market, and policy conditions.

capacity expansion model↗
DOE OSTI2023

Expansion of smallmouth bass distribution and habitat overlap with juvenile Chinook salmon in the Willamette River, Oregon

Abstract Smallmouth bass populations have expanded far beyond their native range and these predatory fish present a pervasive threat to native aquatic species throughout North America. In the western United States, smallmouth bass are now present in river and reservoir habitats where Pacific salmon are found and are considered a potential threat to salmon recovery in many locations. We conducted a study to determine if smallmouth bass are expanding their range in the mainstem Willamette River, Oregon, and developed a model to assess habitat overlap between smallmouth bass and juvenile Chinook salmon. Sampling during 2011–2022 revealed that the distribution of smallmouth bass had expanded throughout that timeframe to encompass the entire mainstem Willamette River, including important rearing habitats for juvenile Chinook salmon. The model predicted that smallmouth bass and juvenile Chinook salmon habitat overlap was substantial, highlighting the need for additional research to evaluate for potential negative impacts to salmon recovery in the basin. The model was also used to evaluate the efficacy of using flow management to reduce interactions between these two species, but the scenarios we examined suggested that this was not a viable option. These results highlight the need for continued research to assess interactions between smallmouth bass and juvenile salmon, and other native species of concern, in the Willamette River Basin. The development of the model is useful for resource managers to understand interactions between these species to prioritize locations for sampling in the future.

White, James S.↗
DOE OSTI2021

Impacts of common faults on an air conditioner with a microtube condenser and analysis of fault characteristic features

Split system air conditioners are widely used to cool residential buildings, because of their low cost and simplicity. However, their efficiency is impacted by installation faults, which include: improper refrigerant charge (undercharge or overcharge), improper evaporator airflow, liquid line restrictions (LL), and the presence of non-condensable gas (NC) in the refrigerant. No known previously published research has studied the effect of these four faults on a system equipped with a microtube condenser, which has smaller tube size than a traditional condenser and therefore holds less refrigerant charge, but has a different configuration than a microchannel. Furthermore, very few have studied the impacts of LL and NC. Herein this paper describes laboratory fault tests of a microtube-equipped system, compares the fault impacts with those of a traditional system, and considers the characteristic fault features. The tested system uses R-410A refrigerant and has a scroll compressor, a fixed orifice expansion device, and two fin-tube heat exchangers. The tests were carried out under steady operation with a range of fault intensities and operating conditions. The microtube system’s performance degradation from faults is similar to systems with traditional heat exchangers, despite the reduced capacity to hold refrigerant charge.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
DOE OSTI2024

Towards accurate prediction of configurational disorder properties in materials using graph neural networks

Abstract The prediction of configurational disorder properties, such as configurational entropy and order-disorder phase transition temperature, of compound materials relies on efficient and accurate evaluations of configurational energies. Previous cluster expansion methods are not applicable to configurationally-complex material systems, including those with atomic distortions and long-range orders. In this work, we propose to leverage the versatile expressive capabilities of graph neural networks (GNNs) for efficient evaluations of configurational energies and present a workflow combining attention-based GNNs and Monte Carlo simulations to calculate the disorder properties. Using the dataset of face-centered tetragonal gold copper without and with local atomic distortions as an example, we demonstrate that the proposed data-driven framework enables the prediction of phase transition temperatures close to experimental values. We also elucidate that the variance of the energy deviations among configurations controls the prediction accuracy of disorder properties and can be used as the target loss function when training and selecting the GNN models. The work serves as a fundamental step toward a data-driven paradigm for the accelerated design of configurationally-complex functional material systems.

Chemistry↗
DOE OSTI2020

Negative and zero thermal expansion in α-(Cu 2-x Znx)V 2 O 7 solid solutions

Negative or zero thermal expansion (NTE or ZTE) of materials is intriguing for controllable thermal expansion. In this work, we report a series of orthorhombic α-Cu 2- x Zn x V 2 O 7 ( x = 0, 0.1, 0.2), in which the volumetric coefficients of thermal expansion are successfully tuned from -10.19 × 10 -6 K -1 to -1.58 × 10 -6 K -1 in the temperature range of 100–475 K by increasing the content of Zn 2+ . It has been revealed that the transverse vibrations of oxygen bonded with vanadium are dominant in the contraction of the bc plane, leading to the overall volume NTE in α-Cu 2 V 2 O 7 . The introduction of Zn 2+ densifies the crystal structure, which is presumed to suppress the space of transverse vibrations and results in the ZTE in α-Cu 1.8 Zn 0.2 V 2 O 7 . This work presents an effective method to realize ZTE in anisotropic framework systems.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗