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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 217 records · Page 12

Porous Covalent Organic Polymers for efficient Fluorocarbon-based Adsorption Cooling

Adsorption-based cooling is an energy-efficient renewable-energy technology that can be driven using low-grade industrial waste heat and/or solar heat. Here, we report the first exploration of fluorocarbon adsorption using porous covalent organic polymers (COPs) for this cooling application. High fluorocarbon R134a equilibrium capacities and unique overall linear-shaped isotherms are revealed for the materials, namely COP-2 and COP-3. The key role of mesoporous defects on this unusual adsorption behavior was demonstrated by molecular simulations based on atomistic defect-containing models built for both porous COPs. Analysis of simulated R134a adsorption isotherms for various defect-containing atomistic models of the COPs shows a direct correlation between higher fluorocarbon adsorption capacities and increasing pore volumes induced by defects. Combined with their high porosities, excellent reversibility, fast kinetics, and large operating window, these defect-containing porous COPs are promising for adsorption-based cooling applications.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

High‐throughput combinatorial approach expedites the synthesis of a lead‐free relaxor ferroelectric system

Abstract Developing novel lead‐free ferroelectric materials is crucial for next‐generation microelectronic technologies that are energy efficient and environment friendly. However, materials discovery and property optimization are typically time‐consuming due to the limited throughput of traditional synthesis methods. In this work, we use a high‐throughput combinatorial synthesis approach to fabricate lead‐free ferroelectric superlattices and solid solutions of (Ba 0.7 Ca 0.3 )TiO 3 (BCT) and Ba(Zr 0.2 Ti 0.8 )O 3 (BZT) phases with continuous variation of composition and layer thickness. High‐resolution x‐ray diffraction (XRD) and analytical scanning transmission electron microscopy (STEM) demonstrate high film quality and well‐controlled compositional gradients. Ferroelectric and dielectric property measurements identify the “optimal property point” achieved at the composition of 48BZT–52BCT. Displacement vector maps reveal that ferroelectric domain sizes are tunable by varying {BCT–BZT} N superlattice geometry. This high‐throughput synthesis approach can be applied to many other material systems to expedite new materials discovery and properties optimization, allowing for the exploration of a large area of phase space within a single growth. image

36 MATERIALS SCIENCE↗

Thermoelectric heating and cooling–integrated dishwasher with thermal energy storage

Household dishwashers must address several performance goals: maximize washing and drying performance, while minimizing cycle duration, energy consumption, and water consumption. This study develops and examines a novel thermoelectric heating and cooling (TEHC) system with thermal energy storage applied to a household dishwasher (DW), aiming to improve the energy and drying performance of a commercially-available dishwasher while maintaining its washing performance, water consumption, and cycle duration. Experimental testing conducted on the novel TEHC-DW system demonstrates an 8.7% reduction in total energy consumption, lowering the per-cycle usage to 0.952 kWh, and a 40% reduction in energy consumption for internal water heating. The novel TEHC-DW system also demonstrates better drying performance, shortening the drying time by 42% to reach the same remaining moisture content as a commercially-available system. In addition, a resistance-capacitance network model is developed that predicts total drying time, total energy consumption, and the highest temperature reached in the tub (53.4 °C). The model accuracy is validated with experimental data (within ±1 K), and the model functions as a design tool via a parametric study to evaluate the next-generation design and the effect of the number of thermoelectric modules and thermoelectric driving force (i.e., current). Overall, this study demonstrates the potential for TEHC technology to improve energy efficiency and drying performance in household dishwashers.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

Understanding and design of interstitial oxygen conductors

Highly efficient oxygen-active materials that react with, absorb, and transport oxygen is essential for fuel cells, electrolyzers and related applications. While vacancy-mediated oxygen-ion conductors have long been the focus of research, they are limited by high migration barriers at intermediate temperatures (400–600 °C), which hinder their practical applications. In contrast, interstitial oxygen conductors exhibit significantly lower migration barriers enabling higher ionic conductivity at lower temperatures. This review systematically examines both well-established and recently identified families of interstitial oxygen-ion conductors, focusing on how their unique structural motifs such as corner-sharing polyhedral frameworks, isolated polyhedral, and cage-like architectures, facilitate low migration barriers through interstitial and/or interstitialcy diffusion mechanisms. A central discussion of this review focuses on the evolution of design strategies, from targeted donor doping, element screening, to physical-intuition descriptor material screening and machine learning approach, which leverage computational tools to explore vast chemical spaces in search for new interstitial conductors. The success of these strategies demonstrates that a significant, largely unexplored space remains for discovering high-performing interstitial oxygen conductors. Crucial features enabling high-performance interstitial oxygen diffusion include the availability of electrons for oxygen reduction and sufficient structural flexibility with accessible volume for interstitial accommodation and migration. This review concludes with a forward-looking perspective, proposing a knowledge-driven methodology that integrates current understanding with data-centric approaches to identify promising interstitial oxygen conductors outside traditional search paradigms. These approaches are expected to significantly accelerate the development of high-performance interstitial oxygen conductors for a variety of oxygen-active applications, ultimately paving the way for more efficient and sustainable energy technologies.

Interstitial oxygen conductors↗

The energy saving potential of thermo-responsive desiccants for air dehumidification

The desiccant wheel is a promising technology for energy-efficient humidity control. However, its overall efficiency—hindered by the desiccant materials’ properties—remains low because traditional desiccants (e.g., silica gels) have a single isotherm regardless of their adsorption temperature. Thermo-responsive materials have been proposed to break this fixed affinity to water vapor, with drastically different adsorption isotherms depending on temperature. Its potential for improving dehumidification efficiency, however, has not been addressed. In this paper, we model the potential of a thermo-responsive interpenetrating polymer network (IPN) desiccant with temperature-dependent adsorption isotherms for energy-efficient dehumidification via a validated transient desiccant wheel model for humidity control of buildings. Thermo-responsive desiccants can improve the dehumidification performance due to their thermo-responsive switchable hydrophilicity below/above the lower critical solution temperature. Our analysis shows that thermo-responsive IPN desiccants can potentially reduce energy consumption by up to 30% compared to silica gels. Finally, the savings depend strongly on the critical temperature of the thermo-responsive desiccant and should be higher when the inlet temperatures are expected to be higher.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

Surface Zeta Potential of ALD-Grown Metal-Oxide Films

Membranes are among the most promising technologies for energy-efficient and highly selective separations, and the surface-charge property of membranes plays a critical role in their broad applications. Atomic layer deposition (ALD) can deposit materials uniformly and with high precision and controllability on arbitrarily complex and large substrates, which renders it a promising method to tune the electrostatics of water/solid interfaces. However, a systematic study of surface-charge properties of ALD-grown films in aqueous environments is still lacking. In this work, 17 ALD-grown metal-oxide films are synthesized, and a comprehensive study of their water stability, wetting properties, and surface-charge properties is provided. Furthermore, this work represents a resource guide for researchers and ultimately for materials and process engineers, seeking to tailor interfacial charge properties of membranes and other porous water treatment components.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Ion–ion interactions enhance aluminum solubility in alkaline suspensions of nano-gibbsite (α-Al(OH) 3 ) with sodium nitrite/nitrate

Despite widespread industrial importance, predicting metal solubilities in highly concentrated, multicomponent aqueous solutions is difficult due to poorly understood ion–ion and ion–solvent interactions. Aluminum hydroxide solid phase solubility in concentrated sodium hydroxide (NaOH) solutions is one such case, with major implications for ore refining, as well as processing of radioactive waste stored at U.S. Department of Energy legacy sites, such as the Hanford Site, Washington State. The solubility of gibbsite (α-Al(OH) 3 ) is often not well predicted because other ions affect the activity of hydroxide (OH – ) and aluminate (Al(OH) 4 – ) anions. In the study reported herein, we systematically examined the influence of key anions, nitrite (NO 2 – ) and nitrate (NO 3 – ), as sodium salts on the solubility of α-Al(OH) 3 in NaOH solutions taking care to establish equilibrium from both under- and oversaturation. Rapid equilibration was enabled by use of a highly pure and crystalline synthetic nano-gibbsite of well-defined particle size and shape. Measured dissolved aluminum concentrations were compared with those predicted by an α-Al(OH) 3 solubility model derived for simple Al(OH) 4 – /OH – systems. Specific anion effects were expressed as an enhancement factor (Al enhc ) conveying the excess of dissolved aluminum. At 45 °C, NaNO 2 and NaNO 3 -containing systems exhibited Al enhc values of 2.70 and 1.88, respectively, indicating significant enhancement. The solutions were examined by Raman and high-field 27 Al NMR spectroscopy, indicating specific interactions including Al(OH) 4 – –Na + contact ion pairing and Al(OH) 4 – –NO 2 – /NO 3 – ion–ion interactions. Dynamic evolution of the α-Al(OH) 3 particles including growth and agglomeration was observed revealing the importance of dissolution/reprecipitation in establishing equilibrium. These studies indicate that incomplete ion hydration, as a result of the low water activity in these concentrated electrolytes, results in: (i) enhanced reactivity of the hydroxide ion with respect to α-Al(OH) 3 ; (ii) increased concentrations of Al(OH) 4 – in solution; and (iii) stronger ion–ion interactions that act to stabilize the supersaturated solutions. This information on the mechanisms by which α-Al(OH) 3 becomes supersaturated is essential for more energy-efficient aluminum processing technologies, including the treatment of millions of gallons of Al(OH) 4 – -rich high-level radioactive waste.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Entropy is an important design principle in the photosystem II supercomplex

Photosystem II (PSII) can achieve near-unity quantum efficiency of light harvesting in ideal conditions and can dissipate excess light energy as heat to prevent the formation of reactive oxygen species (ROS) under light stress. Understanding how this pigment–protein complex accomplishes these opposing goals is a topic of great interest that has so far been explored primarily through the lens of the system energetics. Despite PSII’s known flat energy landscape, a thorough consideration of the entropic effects on energy transfer in PSII is lacking. In this work, we aim to discern the free energetic design principles underlying the PSII energy transfer network. To accomplish this goal, we employ a structure-based rate matrix and compute the free energy terms in time following a specific initial excitation to discern how entropy and enthalpy drive ensemble system dynamics. We find that the interplay between the entropy and enthalpy components differ among each protein subunit, which allows each subunit to fulfill a unique role in the energy transfer network. This individuality ensures that PSII can accomplish efficient energy trapping in the reaction center (RC), effective nonphotochemical quenching (NPQ) in the periphery, and robust energy trapping in the other-monomer RC if the same-monomer RC is closed. We also show that entropy, in particular, is a dynamically tunable feature of the PSII free energy landscape accomplished through regulation of LHCII binding. These findings help rationalize natural photosynthesis and provide design principles for more efficient solar energy harvesting technologies.

59 BASIC BIOLOGICAL SCIENCES↗

Physics and applications of quantum dot lasers for silicon photonics

Abstract Photonic integrated circuits (PICs) have enabled numerous high performance, energy efficient, and compact technologies for optical communications, sensing, and metrology. One of the biggest challenges in scaling PICs comes from the parasitic reflections that feed light back into the laser source. These reflections increase noise and may cause laser destabilization. To avoid parasitic reflections, expensive and bulky optical isolators have been placed between the laser and the rest of the PIC leading to large increases in device footprint for on-chip integration schemes and significant increases in packaging complexity and cost for lasers co-packaged with passive PICs. This review article reports new findings on epitaxial quantum dot lasers on silicon and studies both theoretically and experimentally the connection between the material properties and the ultra-low reflection sensitivity that is achieved. Our results show that such quantum dot lasers on silicon exhibit much lower linewidth enhancement factors than any quantum well lasers. Together with the large damping factor, we show that the quantum dot gain medium is fundamentally dependent on dot uniformity, but through careful optimization, even epitaxial lasers on silicon can operate without an optical isolator, which is of paramount importance for the future high-speed silicon photonic systems.

36 MATERIALS SCIENCE↗

Quantum Mechanical Evaluation of CZTS Properties for Photovoltaic Applications

As a quaternary semiconductor, CZTS (Cu 2 ZnSnS 4 ) shows promise as a thin-film solar cell material. The constituent elements in CZTS are abundant and non-toxic, and CZTS has an ideal band gap (~1.5 eV) for solar cell applications, which produces a large absorption coefficient. Unfortunately, the low efficiencies and difficulties in synthesizing the desired crystallographic phase (kesterite) and the associated formation of antisite defects limit its deployment. Using theoretical and computational tools, we investigated these current limitations, explored strategies to resolve these issues, and developed design guidelines to improve the efficiency of CZTS-based sunlight absorbers. We first sought to understand the challenges associated with synthesizing the kesterite phase and proposed ways to favor kesterite growth, thus adding to the understanding of CZTS photovoltaics. We also analyzed the major limitations at the atomic scale lowering the efficiency of CZTS: the low open-circuit voltage (V oc ) and the short carrier lifetime, thus addressing the technical effectiveness of CZTS photovoltaics. We believe the latter is due to Shockley-Read-Hall (SRH) recombination centers associated with point defects. We also studied the electronic structure of interfaces and defects introducing such recombination centers, and explored doping strategies to reduce SRH recombination. Ultimately, these efforts will benefit the public by contributing to the development of cheap and efficient solar energy conversion technologies made from abundant, non-toxic materials.

14 SOLAR ENERGY↗

High-throughput combinatorial approach expedites the synthesis of a lead-free relaxor ferroelectric system

Developing novel lead-free ferroelectric materials is crucial for next-generation microelectronic technologies that are energy efficient and environment friendly. However, materials discovery and property optimization are typically time-consuming due to the limited throughput of traditional synthesis methods. In this work, we use a high-throughput combinatorial synthesis approach to fabricate lead-free ferroelectric superlattices and solid solutions of (Ba 0.7 Ca 0.3 )TiO 3 (BCT) and Ba(Zr 0.2 Ti 0.8 )O 3 (BZT) phases with continuous variation of composition and layer thickness. High-resolution x-ray diffraction (XRD) and analytical scanning transmission electron microscopy (STEM) demonstrate high film quality and well-controlled compositional gradients. Ferroelectric and dielectric property measurements identify the “optimal property point” achieved at the composition of 48BZT–52BCT. Displacement vector maps reveal that ferroelectric domain sizes are tunable by varying {BCT–BZT} N superlattice geometry. This high-throughput synthesis approach can be applied to many other material systems to expedite new materials discovery and properties optimization, allowing for the exploration of a large area of phase space within a single growth.

36 MATERIALS SCIENCE↗

Grid Planning for Building Electrification: A Report by the Energy Systems Integration Group’s Grid Planning for Building Electrification Task Force

The increased electrification of buildings across the United States is being driven by technical advancements, cost reductions for some building technologies, consumer preferences, and policy goals for decarbonization. However, the effects of this load growth on the electric distribution system are often only a minor consideration in policymaking and long-term planning studies. The long lead time and useful life of power system equipment means that the decisions taken today are expected to support our society well into the 2060s and beyond. Distribution planning stakeholders can take steps today to establish a grid foundation that captures the new challenges presented by building electrification. This report focuses on building electrification for the residential and commercial sectors, focusing most heavily on space heating, as this end use stands to most strongly impact demand.1 Across all end uses, building electrification could require somewhere between 10% and 70% more electricity generation capacity than exists today depending on technology adoption and energy efficiency.

24 POWER TRANSMISSION AND DISTRIBUTION↗

Nanosecond Laser Drying in Wafer Foundries for Significant Energy Efficiency Improvement

Surface drying is a critical process in microelectronics wafer fabrication. In order to reduce and eliminate watermarks, many surface drying processes have been studied and used. Most of the wafer foundries currently use drying processes based on Isopropyl Alcohol (IPA), which causes serious safety (fire), health, environmental, and energy efficiency issues. The long-term goal of this project is to develop a fast, effective, chemical-free, and extremely energy efficient wafer drying technology that employs nanosecond laser-induced sub-surface evaporation and explosion. The objectives of this project are to 1) experimentally develop and verify the laser surface drying method, explore and identify how and to what extent various physical parameters influence the drying efficiency and effectiveness; and 2) understand and optimize the underlying thermodynamics in the proposed laser surface drying, including micro/nanoscale sub-surface superheating, evaporation, explosion, and photo/thermochemical bond breaking via atomistic modeling and experimental characterization. Toward these objectives, five tasks have been accomplished successfully, including 1) develop in-lab laser surface drying setup and study the effect of varied laser parameters, 2) use multiscale hybrid-modeling to study and understand the physics of water behavior during drying toward process optimization, 3) investigate the effect of drying conditions on the drying effectiveness, 4) develop a large-scale laser drying scanning system with automatic scanning, and 5) conduct large-scale simulation to study the effect of dopant level and develop strategies for system development toward industry deployment.

42 ENGINEERING↗

Real-Time Testbed for Smart Grid Recloser Controller

The growing need for a low voltage recloser has become apparent due to the rise in requirements for a smart grid. This includes more detailed management of power flow forward (towards load) and backward (towards generation), source synchronization in real time, more indepth fault responses, and the use of green energy. The SEL-651R-2 relay is a device that can manage these needs, especially in fault response and synchronization, and is commonly used in systems called microgrids. Microgrids are distribution level systems that are able to operate separated from the main grid, are typically installed much closer to the load(s), and are fed by distributed energy resources (DERs), such as wind, solar or diesel generators. The SEL-651R-2 is normally used in the field with presets operative settings, but the Western Michigan University (WMU) Center for Interdisciplinary Research on Secure, Efficient and Sustainable Energy Technology (WMU InterEnergy Center) wished to test this device in its range of capabilities for microgrid application. A Hardware-In-the-Loop (HIL) testbed was implemented and used through the Real Time Digital Simulator (RTDS) using the RSCAD software to test the SEL-651R-2's use cases and functions. The testbed includes a microgrid with interconnection to a larger main grid, and the relay is meant to control the recloser at the point of common coupling (PCC) between the main grid and microgrid. The testbed shows how basic protections, reclosing, and synchronization checks function when handling faults that affect both the microgrid and the main grid.

24 POWER TRANSMISSION AND DISTRIBUTION↗

HPC at NREL: FY 2019

Brochure featuring Fiscal Year 2019 accomplishments at the NREL High-Performance Computing User Facility and Data Center at the Energy Systems Integration Facility, including information on the facility's HPC systems as well as highlights from several modeling and simulation projects across the spectrum of energy efficiency and renewable energy technologies.

97 MATHEMATICS AND COMPUTING↗

Bioenergy Consortia: The Spirit of National Laboratory Collaboration

The U.S. Department of Energy’s (DOE’s) National Laboratories collaborate on cutting-edge research and development (R&D) projects through the use of multi-lab consortia. DOE’s Office of Energy Efficiency’s Bioenergy Technologies Office (BETO) funds seven bioenergy industry consortia across the United States. Each bioenergy consortium is devoted to advancing technologies needed to drive the expansion of competitive, cost-effective, and scalable fuels and products made from renewable biomass.

ChemCatBio, biological engineering↗

Evaluating Energy Efficiency Opportunities from Connected and Automated Vehicle Deployments Coupled with Shared Mobility in California

Connected and Automated Vehicles (CAVs) can be considered to be a disruptive transportation technology, with the potential to significantly improve overall transportation system efficiency; however, CAVs may increase induce vehicle miles traveled (VMT) and bring on greater energy consumption. Further, shared mobility is another disruptive transportation event that is reshaping our travel patterns. The primary goal of this project was to extensively collect data from vehicles and associated infrastructure equipped with CAV technologies from both real-world experiments and simulation studies mainly deployed in California, and develop a comprehensive framework for evaluating energy efficiency opportunities from large-scale (e.g., statewide) introduction of CAVs and a wide deployment of shared mobility systems in a variety of scenarios. To quantify the combined impact of CAV and shared mobility on travel behavior, traffic performance, and energy efficiency, a unique mesoscopic simulation-based model was developed for mobility and energy efficiency evaluation considering these disruptive transportation technologies. As a complement to existing studies on nationwide evaluation of CAVs’ energy impacts, this project was focused on data collection efforts and CAV applications under congested traffic environments that are frequently experienced on a massive scale across the major metropolitan areas in California. Extensive real-world data collection supplemented with simulation studies were conducted to cover a variety of CAV and shared mobility scenarios, particularly on scenarios less-explored in the existing research. Another key component of this project was to consider the interaction between different CAV technologies and shared mobility models, and the compound effect on energy efficiency. A comprehensive modeling suite was developed to quantify the impact of new mobility technologies on travel behavior and traffic performance. The developed modeling framework includes an energy intensity module, mode choice module and activity generation module that are integrated into an agent-based BEAM simulation platform to perform impact analysis based on a variety of scenarios. In addition, the RouteE model has been upgraded to incorporate the impact of CAVs on traffic flow, VMT and energy intensity, using micro-simulation data collected from both freeways and urban arterials. A novel fundamental influencing factor (FIF) mode choice model was developed to link CAV and shared mobility components with travel behaviors, and adapted into the BEAM-centered model framework. A statewide energy inventory was constructed under various CAV technology deployment scenarios by incorporating datasets and models for predicting vehicle market share and vehicle usage, which are tightly associated with the penetration of shared mobility systems. Based applying this modeling suite to a calibrated network in Riverside California, it was found that cooperative automated driving in general will improve mobility, but automated vehicles, even when deployed in a shared autonomous fleet, will likely bring an increase of VMT (up to 36%) due to mode shifts and deadheading. Ride-hailing vehicles typically have better energy efficiency and a higher share of electric vehicles, which helps offset the negative impact from VMT increases when estimating the system-level energy consumption. In general, simulation results show a 6% increase in energy consumption for the scenarios with an increasing shift to ride-hailing modes. The statewide analysis based on the National Household Travel Survey (NHTS) sample data is consistent with the findings from the Riverside network and validate the developed clustering-prediction modeling methodology. The outcomes from this project will help close the knowledge gap on recognizing the potential performance and energy impacts of a broad deployment of CAV and shared mobility technologies across a wide range of roadway infrastructure with varying levels of congestion. Results from this project: 1) will support policymakers in steering CAV development and deployment towards an energy favorable direction; 2) reduce uncertainties in estimating energy saving opportunities from new mobility technologies and services; 3) increase the confidence of CAV technology investors both on the infrastructure side (i.e., transportation agencies) and on the vehicle side (i.e., OEMs); and 4) expedite the deployment of energy-efficient CAV and shared mobility applications.

33 ADVANCED PROPULSION SYSTEMS↗

SMART Mobility. Urban Science Capstone Report

The U.S. Department of Energy’s Systems and Modeling for Accelerated Research in Transportation (SMART) Mobility Consortium is a multiyear, multi-laboratory collaborative, managed by the Energy Efficient Mobility Systems Program of the Office of Energy Efficiency and Renewable Energy, Vehicle Technologies Office, dedicated to further understanding the energy implications and opportunities of advanced mobility technologies and services. The Urban Science (US) Pillar focuses on maximum-mobility and minimum-energy opportunities associated with emerging transportation and transportation-related technologies specifically within the urban context. Such technologies, often referred to as automated, connected, efficient (or electrified), and shared (ACES), have the potential to greatly improve mobility and related quality of life in urban areas. Although all the SMART Mobility research pillars share some commonalities, Urban Science strives to model, analyze, and gain insights from the perspective of human settlements (the “city”) as a living organism. This is especially critical as the United States is one of the most urbanized countries, and as more and more of the global population migrates to urban areas.1 The urban mobility system consists of a complex network that reaches well beyond roads and vehicles and includes significant investments in public transit, private mobility services (such as taxis and transportation network companies, or TNCs), significant parking reserves, and curb management practices, not to mention the abundance of emerging on-demand micromobility services for the movement of people and goods such as e-bikes and scooters, which make the urban space a dynamic laboratory for mobility. Urban spaces also concentrate employment, markets, services, and attractions, which are the destinations for most trips. The concentration of human activities and ensuing density also creates the need and emphasis for space efficiency in urban environments, which is often less of a constraint in suburban or rural contexts. This mixture of transportation and mobility infrastructure and practice, combined with global urbanization trends, make urban spaces a critical focus of research for developing energy-efficient mobility systems (EEMS).

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗